| Year |
Citation |
Score |
| 2015 |
Garcia A, Sanzone JR, Woerpel KA. Participation of Alkoxy Groups in Reactions of Acetals: Violation of the Reactivity/Selectivity Principle in a Curtin-Hammett Kinetic Scenario. Angewandte Chemie (International Ed. in English). 54: 12087-90. PMID 26290402 DOI: 10.1002/anie.201503525 |
0.52 |
|
| 2015 |
Garcia A, Otte DA, Salamant WA, Sanzone JR, Woerpel KA. Influence of alkoxy groups on rates of acetal hydrolysis and tosylate solvolysis: electrostatic stabilization of developing oxocarbenium ion intermediates and neighboring-group participation to form oxonium ions. The Journal of Organic Chemistry. 80: 4470-80. PMID 25806832 DOI: 10.1021/acs.joc.5b00338 |
0.52 |
|
| 2015 |
Garcia A, Otte DA, Salamant WA, Sanzone JR, Woerpel KA. Acceleration of acetal hydrolysis by remote alkoxy groups: evidence for electrostatic effects on the formation of oxocarbenium ions. Angewandte Chemie (International Ed. in English). 54: 3061-4. PMID 25614209 DOI: 10.1002/anie.201410043 |
0.52 |
|
| 2012 |
Gould A, Li Y, Majumder S, Garcia AE, Carlsson P, Shekhtman A, Camarero JA. Recombinant production of rhesus θ-defensin-1 (RTD-1) using a bacterial expression system. Molecular Biosystems. 8: 1359-65. PMID 22327102 DOI: 10.1039/c2mb05451e |
0.52 |
|
| 2011 |
Garcia AE, Tai KP, Puttamadappa SS, Shekhtman A, Ouellette AJ, Camarero JA. Biosynthesis and antimicrobial evaluation of backbone-cyclized α-defensins. Biochemistry. 50: 10508-19. PMID 22040603 DOI: 10.1021/bi201430f |
0.52 |
|
| 2011 |
Schmidt NW, Mishra A, Lai GH, Davis M, Sanders LK, Tran D, Garcia A, Tai KP, McCray PB, Ouellette AJ, Selsted ME, Wong GC. Criterion for amino acid composition of defensins and antimicrobial peptides based on geometry of membrane destabilization. Journal of the American Chemical Society. 133: 6720-7. PMID 21473577 DOI: 10.1021/ja200079a |
0.52 |
|
| 2011 |
Lipkin S, Lee J, Imagawa D, Hewitt SM, Tucker C, Zell JA, Wong V, Garcia A, Gonzalez R, Della Zanna G, Richmond E, Rodriguez LM, Bigg M, Schnoll-Sussmans F, Meyskens F. Phase IIA trial testing erlotinib as an intervention against intraductal pancreatic mucinous neoplasms. Cancer Prevention Research (Philadelphia, Pa.). 4: 512-3. PMID 21464031 DOI: 10.1158/1940-6207.CAPR-10-0373 |
0.52 |
|
| 2011 |
Berrade L, Garcia AE, Camarero JA. Protein microarrays: novel developments and applications. Pharmaceutical Research. 28: 1480-99. PMID 21116694 DOI: 10.1007/s11095-010-0325-1 |
0.52 |
|
| 2010 |
Garcia AE, Camarero JA. Biological activities of natural and engineered cyclotides, a novel molecular scaffold for peptide-based therapeutics. Current Molecular Pharmacology. 3: 153-63. PMID 20858197 |
0.52 |
|
| 2010 |
Melchior B, Garcia AE, Hsiung BK, Lo KM, Doose JM, Thrash JC, Stalder AK, Staufenbiel M, Neumann H, Carson MJ. Dual induction of TREM2 and tolerance-related transcript, Tmem176b, in amyloid transgenic mice: implications for vaccine-based therapies for Alzheimer's disease. Asn Neuro. 2: e00037. PMID 20640189 DOI: 10.1042/AN20100010 |
0.52 |
|
| 2010 |
Toulme E, Garcia A, Samways D, Egan TM, Carson MJ, Khakh BS. P2X4 receptors in activated C8-B4 cells of cerebellar microglial origin. The Journal of General Physiology. 135: 333-53. PMID 20231374 DOI: 10.1085/jgp.200910336 |
0.52 |
|
| 2009 |
Garcia A, Borchardt D, Chang CE, Marsella MJ. Thermal isomerization of cannabinoid analogues. Journal of the American Chemical Society. 131: 16640-1. PMID 19919138 DOI: 10.1021/ja907062v |
0.52 |
|
| 2008 |
Garcia AE, Osapay G, Tran PA, Yuan J, Selsted ME. Isolation, synthesis, and antimicrobial activities of naturally occurring theta-defensin isoforms from baboon leukocytes. Infection and Immunity. 76: 5883-91. PMID 18852242 DOI: 10.1128/IAI.01100-08 |
0.52 |
|
| Low-probability matches |
| 2018 |
Basso V, Garcia A, Tran DQ, Schaal JB, Tran P, Ngole D, Aqeel Y, Tongaonkar P, Ouellette AJ, Selsted ME. Fungicidal potency and mechanisms of θ-defensins against multi-drug resistantspecies. Antimicrobial Agents and Chemotherapy. PMID 29610196 DOI: 10.1128/AAC.00111-18 |
0.01 |
|
| 2015 |
Garcia AE, Kasim N, Tamboli RA, Gonzalez RS, Antoun J, Eckert EA, Marks-Shulman PA, Dunn J, Wattacheril J, Wallen T, Abumrad NN, Flynn CR. Lipoprotein Profiles in Class III Obese Caucasian and African American Women with Nonalcoholic Fatty Liver Disease. Plos One. 10: e0142676. PMID 26599819 DOI: 10.1371/journal.pone.0142676 |
0.01 |
|
| 2015 |
Rosenman DJ, Wang C, Garcia AE. Characterization of Aβ Monomers Through the Convergence of Ensemble Properties Among Simulations with Multiple Force Fields. The Journal of Physical Chemistry. B. PMID 26562747 DOI: 10.1021/acs.jpcb.5b09379 |
0.01 |
|
| 2015 |
Neale C, Herce HD, Pomès R, García AE. Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor? Biophysical Journal. 109: 1652-62. PMID 26488656 DOI: 10.1016/j.bpj.2015.08.028 |
0.01 |
|
| 2015 |
Tripathi S, Garcìa AE, Makhatadze GI. Alterations of Nonconserved Residues Affect Protein Stability and Folding Dynamics through Charge-Charge Interactions. The Journal of Physical Chemistry. B. 119: 13103-12. PMID 26413861 DOI: 10.1021/acs.jpcb.5b08527 |
0.01 |
|
| 2015 |
Neale C, Huang K, García AE, Tristram-Nagle S. Penetration of HIV-1 Tat47-57 into PC/PE Bilayers Assessed by MD Simulation and X-ray Scattering. Membranes. 5: 473-94. PMID 26402709 DOI: 10.3390/membranes5030473 |
0.01 |
|
| 2015 |
English CA, García AE. Charged Termini on the Trp-Cage Roughen the Folding Energy Landscape. The Journal of Physical Chemistry. B. 119: 7874-81. PMID 26018669 DOI: 10.1021/acs.jpcb.5b02040 |
0.01 |
|
| 2015 |
Aliaga IJ, Vera V, De Paz JF, García AE, Mohamad MS. Modelling the longevity of dental restorations by means of a CBR system. Biomed Research International. 2015: 540306. PMID 25866792 DOI: 10.1155/2015/540306 |
0.01 |
|
| 2015 |
Krafnick RC, García AE. Impact of hydrodynamics on effective interactions in suspensions of active and passive matter. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 91: 022308. PMID 25768506 DOI: 10.1103/PHYSREVE.91.022308 |
0.01 |
|
| 2015 |
Saxena A, García AE. Multisite ion model in concentrated solutions of divalent cations (MgCl2 and CaCl2): osmotic pressure calculations. The Journal of Physical Chemistry. B. 119: 219-27. PMID 25482831 DOI: 10.1021/jp507008x |
0.01 |
|
| 2015 |
Garcia AE, Perdomo JG. A simple bio-inspired model for synaptogenesis in artificial neural networks Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 9413: 293-305. DOI: 10.1007/978-3-319-27060-9_24 |
0.01 |
|
| 2015 |
Manley WF, Gaylord AG, Kassin A, Cody R, Copenhaver WA, Dover M, Escarzaga SM, Font R, Garcia AE, Habermann T, Lin DH, Score R, Villarreal S, Tweedie CE. The U.S. Arctic observing viewer: A web-mapping application for enhancing environmental observation of the changing arctic Arctic. 68: 1-11. |
0.01 |
|
| 2014 |
Herce HD, Garcia AE, Cardoso MC. Fundamental molecular mechanism for the cellular uptake of guanidinium-rich molecules. Journal of the American Chemical Society. 136: 17459-67. PMID 25405895 DOI: 10.1021/ja507790z |
0.01 |
|
| 2014 |
Huang K, García AE. Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering. Journal of Chemical Theory and Computation. 10: 4264-4272. PMID 25328493 DOI: 10.1021/ct500305u |
0.01 |
|
| 2014 |
Huang K, García AE. Effects of truncating van der Waals interactions in lipid bilayer simulations. The Journal of Chemical Physics. 141: 105101. PMID 25217953 DOI: 10.1063/1.4893965 |
0.01 |
|
| 2014 |
Akabori K, Huang K, Treece BW, Jablin MS, Maranville B, Woll A, Nagle JF, Garcia AE, Tristram-Nagle S. HIV-1 Tat membrane interactions probed using X-ray and neutron scattering, CD spectroscopy and MD simulations. Biochimica Et Biophysica Acta. 1838: 3078-87. PMID 25148702 DOI: 10.1016/j.bbamem.2014.08.014 |
0.01 |
|
| 2014 |
Jimenez-Cruz CA, Garcia AE. Equilibrium thermodynamics and folding kinetics of a short, fast-folding, beta-hairpin. Physical Chemistry Chemical Physics : Pccp. 16: 6422-9. PMID 24472872 DOI: 10.1039/c3cp54336f |
0.01 |
|
| 2014 |
English CA, GarcÃa AE. Folding and unfolding thermodynamics of the TC10b Trp-cage miniprotein. Physical Chemistry Chemical Physics : Pccp. 16: 2748-57. PMID 24448113 DOI: 10.1039/c3cp54339k |
0.01 |
|
| 2014 |
Maidl CA, Leske JS, Garcia AE. The influence of "quiet time" for patients in critical care. Clinical Nursing Research. 23: 544-59. PMID 23847172 DOI: 10.1177/1054773813493000 |
0.01 |
|
| 2014 |
Garcia AE, Riahi DN. Two-phase blood flow and heat transfer in an inclined stenosed artery with or without a catheter International Journal of Fluid Mechanics Research. 41: 16-30. DOI: 10.1615/InterJFluidMechRes.v41.i1.20 |
0.01 |
|
| 2013 |
Jimenez-Cruz CA, Garcia AE. Reconstructing the Most Probable Folding Transition Path from Replica Exchange Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 9: 3750-5. PMID 26584126 DOI: 10.1021/ct400170x |
0.01 |
|
| 2013 |
Chen AA, GarcÃa AE. High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America. 110: 16820-5. PMID 24043821 DOI: 10.1073/pnas.1309392110 |
0.01 |
|
| 2013 |
Roche J, Dellarole M, Caro JA, Norberto DR, Garcia AE, Garcia-Moreno B, Roumestand C, Royer CA. Effect of internal cavities on folding rates and routes revealed by real-time pressure-jump NMR spectroscopy. Journal of the American Chemical Society. 135: 14610-8. PMID 23987660 DOI: 10.1021/ja406682e |
0.01 |
|
| 2013 |
Garcia AE, Rico MC, Liverani E, DeLa Cadena RA, Bray PF, Kunapuli SP. Erosive arthritis and hepatic granuloma formation induced by peptidoglycan polysaccharide in rats is aggravated by prasugrel treatment. Plos One. 8: e69093. PMID 23861957 DOI: 10.1371/journal.pone.0069093 |
0.01 |
|
| 2013 |
Rosenman DJ, Connors CR, Chen W, Wang C, GarcÃa AE. Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach. Journal of Molecular Biology. 425: 3338-59. PMID 23811057 DOI: 10.1016/j.jmb.2013.06.021 |
0.01 |
|
| 2013 |
Garcia AE. Please, get in my way so that I can be more efficient! Biophysical Journal. 104: 1842-3. PMID 23663825 DOI: 10.1016/j.bpj.2013.03.042 |
0.01 |
|
| 2013 |
Stephenson W, Asare-Okai PN, Chen AA, Keller S, Santiago R, Tenenbaum SA, Garcia AE, Fabris D, Li PT. The essential role of stacking adenines in a two-base-pair RNA kissing complex. Journal of the American Chemical Society. 135: 5602-11. PMID 23517345 DOI: 10.1021/ja310820h |
0.01 |
|
| 2013 |
Sathyamoorthy B, Singarapu KK, Garcia AE, Szyperski T. Protein conformational space populated in solution probed with aromatic residual dipolar (13) C-(1) H couplings. Chembiochem : a European Journal of Chemical Biology. 14: 684-8. PMID 23494854 DOI: 10.1002/cbic.201300016 |
0.01 |
|
| 2013 |
Huang K, GarcÃa AE. Free energy of translocating an arginine-rich cell-penetrating peptide across a lipid bilayer suggests pore formation. Biophysical Journal. 104: 412-20. PMID 23442863 DOI: 10.1016/j.bpj.2012.10.027 |
0.01 |
|
| 2013 |
Canchi DR, GarcÃa AE. Cosolvent effects on protein stability. Annual Review of Physical Chemistry. 64: 273-93. PMID 23298246 DOI: 10.1146/annurev-physchem-040412-110156 |
0.01 |
|
| 2013 |
Tripathi S, Makhatadze GI, Garcia AE. Backtracking due to residual structure in the unfolded state changes the folding of the third fibronectin type III domain from tenascin-C. The Journal of Physical Chemistry. B. 117: 800-10. PMID 23268597 DOI: 10.1021/jp310046k |
0.01 |
|
| 2013 |
Roche J, Caro JA, Dellarole M, Guca E, Royer CA, GarcÃa-Moreno BE, Garcia AE, Roumestand C. Structural, energetic, and dynamic responses of the native state ensemble of staphylococcal nuclease to cavity-creating mutations. Proteins. 81: 1069-80. PMID 23239146 DOI: 10.1002/prot.24231 |
0.01 |
|
| 2013 |
Liverani E, Rico MC, Garcia AE, Kilpatrick LE, Kunapuli SP. Prasugrel metabolites inhibit neutrophil functions. The Journal of Pharmacology and Experimental Therapeutics. 344: 231-43. PMID 23097214 DOI: 10.1124/jpet.112.195883 |
0.01 |
|
| 2012 |
Roche J, Dellarole M, Caro JA, Guca E, Norberto DR, Yang Y, Garcia AE, Roumestand C, GarcÃa-Moreno B, Royer CA. Remodeling of the folding free energy landscape of staphylococcal nuclease by cavity-creating mutations. Biochemistry. 51: 9535-46. PMID 23116341 DOI: 10.1021/bi301071z |
0.01 |
|
| 2012 |
Canchi DR, Jayasimha P, Rau DC, Makhatadze GI, Garcia AE. Molecular mechanism for the preferential exclusion of TMAO from protein surfaces. The Journal of Physical Chemistry. B. 116: 12095-104. PMID 22970901 DOI: 10.1021/jp304298c |
0.01 |
|
| 2012 |
Leske JS, McAndrew NS, Evans CR, Garcia AE, Brasel KJ. Challenges in conducting research after family presence during resuscitation. Journal of Trauma Nursing : the Official Journal of the Society of Trauma Nurses. 19: 190-4. PMID 22955717 DOI: 10.1097/JTN.0b013e318261d041 |
0.01 |
|
| 2012 |
Garcia AE, Bonnaig JV, Yoneda ZT, Richards JE, Ehrenfeld JM, Obremskey WT, Jahangir AA, Sethi MK. Patient variables which may predict length of stay and hospital costs in elderly patients with hip fracture. Journal of Orthopaedic Trauma. 26: 620-3. PMID 22832431 DOI: 10.1097/BOT.0b013e3182695416 |
0.01 |
|
| 2012 |
Chen AA, GarcÃa AE. Mechanism of enhanced mechanical stability of a minimal RNA kissing complex elucidated by nonequilibrium molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America. 109: E1530-9. PMID 22623526 DOI: 10.1073/pnas.1119552109 |
0.01 |
|
| 2012 |
Noel JK, Schug A, Verma A, Wenzel W, Garcia AE, Onuchic JN. Mirror images as naturally competing conformations in protein folding. The Journal of Physical Chemistry. B. 116: 6880-8. PMID 22497217 DOI: 10.1021/jp212623d |
0.01 |
|
| 2012 |
Roche J, Caro JA, Norberto DR, Barthe P, Roumestand C, Schlessman JL, Garcia AE, GarcÃa-Moreno BE, Royer CA. Cavities determine the pressure unfolding of proteins. Proceedings of the National Academy of Sciences of the United States of America. 109: 6945-50. PMID 22496593 DOI: 10.1073/pnas.1200915109 |
0.01 |
|
| 2012 |
Barst RJ, Ivy DD, Gaitan G, Szatmari A, Rudzinski A, Garcia AE, Sastry BK, Pulido T, Layton GR, Serdarevic-Pehar M, Wessel DL. A randomized, double-blind, placebo-controlled, dose-ranging study of oral sildenafil citrate in treatment-naive children with pulmonary arterial hypertension. Circulation. 125: 324-34. PMID 22128226 DOI: 10.1161/CIRCULATIONAHA.110.016667 |
0.01 |
|
| 2011 |
Rodriguez JR, GarcÃa AE. Concentration dependence of NaCl ion distributions around DPPC lipid bilayers. Interdisciplinary Sciences, Computational Life Sciences. 3: 272-82. PMID 22179761 DOI: 10.1007/s12539-011-0107-4 |
0.01 |
|
| 2011 |
Garcia AE, Mada SR, Rico MC, Dela Cadena RA, Kunapuli SP. Clopidogrel, a P2Y12 receptor antagonist, potentiates the inflammatory response in a rat model of peptidoglycan polysaccharide-induced arthritis. Plos One. 6: e26035. PMID 22028806 DOI: 10.1371/journal.pone.0026035 |
0.01 |
|
| 2011 |
Tian J, Garcia AE. Simulation studies of protein folding/unfolding equilibrium under polar and nonpolar confinement. Journal of the American Chemical Society. 133: 15157-64. PMID 21854029 DOI: 10.1021/ja2054572 |
0.01 |
|
| 2011 |
Paschek D, Day R, GarcÃa AE. Influence of water-protein hydrogen bonding on the stability of Trp-cage miniprotein. A comparison between the TIP3P and TIP4P-Ew water models. Physical Chemistry Chemical Physics : Pccp. 13: 19840-7. PMID 21845272 DOI: 10.1039/c1cp22110h |
0.01 |
|
| 2011 |
Jimenez-Cruz CA, Makhatadze GI, Garcia AE. Protonation/deprotonation effects on the stability of the Trp-cage miniprotein. Physical Chemistry Chemical Physics : Pccp. 13: 17056-63. PMID 21773639 DOI: 10.1039/c1cp21193e |
0.01 |
|
| 2011 |
Tian J, GarcÃa AE. Simulations of the confinement of ubiquitin in self-assembled reverse micelles. The Journal of Chemical Physics. 134: 225101. PMID 21682536 DOI: 10.1063/1.3592712 |
0.01 |
|
| 2011 |
Vaitheeswaran S, Garcia AE. Protein stability at a carbon nanotube interface. The Journal of Chemical Physics. 134: 125101. PMID 21456701 DOI: 10.1063/1.3558776 |
0.01 |
|
| 2011 |
Rouget JB, Aksel T, Roche J, Saldana JL, Garcia AE, Barrick D, Royer CA. Size and sequence and the volume change of protein folding. Journal of the American Chemical Society. 133: 6020-7. PMID 21446709 DOI: 10.1021/ja200228w |
0.01 |
|
| 2011 |
Canchi DR, GarcÃa AE. Backbone and side-chain contributions in protein denaturation by urea. Biophysical Journal. 100: 1526-33. PMID 21402035 DOI: 10.1016/j.bpj.2011.01.028 |
0.01 |
|
| 2011 |
Joshi A, Kate S, Poon V, Mondal D, Boggara MB, Saraph A, Martin JT, McAlpine R, Day R, Garcia AE, Mogridge J, Kane RS. Structure-based design of a heptavalent anthrax toxin inhibitor. Biomacromolecules. 12: 791-6. PMID 21302959 DOI: 10.1021/bm101396u |
0.01 |
|
| 2011 |
Sgourakis NG, Merced-Serrano M, Boutsidis C, Drineas P, Du Z, Wang C, Garcia AE. Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms. Journal of Molecular Biology. 405: 570-83. PMID 21056574 DOI: 10.1016/j.jmb.2010.10.015 |
0.01 |
|
| 2010 |
Patel MM, Sgourakis NG, Garcia AE, Makhatadze GI. Experimental test of the thermodynamic model of protein cooperativity using temperature-induced unfolding of a Ubq-UIM fusion protein. Biochemistry. 49: 8455-67. PMID 20836541 DOI: 10.1021/bi101163u |
0.01 |
|
| 2010 |
Zhuang W, Sgourakis NG, Li Z, Garcia AE, Mukamel S. Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study. Proceedings of the National Academy of Sciences of the United States of America. 107: 15687-92. PMID 20798063 DOI: 10.1073/pnas.1002131107 |
0.01 |
|
| 2010 |
Day R, Paschek D, Garcia AE. Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage miniprotein. Proteins. 78: 1889-99. PMID 20408169 DOI: 10.1002/prot.22702 |
0.01 |
|
| 2010 |
Sgourakis NG, Garcia AE. The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations. Journal of Molecular Biology. 398: 161-73. PMID 20184892 DOI: 10.1016/j.jmb.2010.02.032 |
0.01 |
|
| 2010 |
Sarupria S, Ghosh T, GarcÃa AE, Garde S. Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins. 78: 1641-51. PMID 20146357 DOI: 10.1002/prot.22680 |
0.01 |
|
| 2010 |
Canchi DR, Paschek D, GarcÃa AE. Equilibrium study of protein denaturation by urea. Journal of the American Chemical Society. 132: 2338-44. PMID 20121105 DOI: 10.1021/ja909348c |
0.01 |
|
| 2010 |
Sgourakis NG, Patel MM, Garcia AE, Makhatadze GI, McCallum SA. Conformational dynamics and structural plasticity play critical roles in the ubiquitin recognition of a UIM domain. Journal of Molecular Biology. 396: 1128-44. PMID 20053359 DOI: 10.1016/j.jmb.2009.12.052 |
0.01 |
|
| 2009 |
Herce HD, Garcia AE, Litt J, Kane RS, Martin P, Enrique N, Rebolledo A, Milesi V. Arginine-rich peptides destabilize the plasma membrane, consistent with a pore formation translocation mechanism of cell-penetrating peptides. Biophysical Journal. 97: 1917-25. PMID 19804722 DOI: 10.1016/j.bpj.2009.05.066 |
0.01 |
|
| 2009 |
GarcÃa-Melgares ML, GarcÃa AE, Febrer I. [Skin and bone lesions in an adolescent boy]. Actas Dermo-SifiliográFicas. 100: 715-6. PMID 19775551 |
0.01 |
|
| 2009 |
Tian J, Garcia AE. An alpha-helical peptide in AOT micelles prefers to be localized at the water/headgroup interface. Biophysical Journal. 96: L57-9. PMID 19450460 DOI: 10.1016/j.bpj.2009.03.014 |
0.01 |
|
| 2008 |
Paschek D, Pühse M, Perez-Goicochea A, Gnanakaran S, GarcÃa AE, Winter R, Geiger A. The solvent-dependent shift of the amide I band of a fully solvated peptide as a local probe for the solvent composition in the peptide/solvent interface. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 2742-50. PMID 19035605 DOI: 10.1002/cphc.200800540 |
0.01 |
|
| 2008 |
Paschek D, Hempel S, GarcÃa AE. Computing the stability diagram of the Trp-cage miniprotein. Proceedings of the National Academy of Sciences of the United States of America. 105: 17754-9. PMID 19004791 DOI: 10.1073/pnas.0804775105 |
0.01 |
|
| 2008 |
Sgourakis NG, Day R, McCallum SA, Garcia AE. Pressure effects on the ensemble dynamics of ubiquitin inspected with molecular dynamics simulations and isotropic reorientational eigenmode dynamics. Biophysical Journal. 95: 3943-55. PMID 18621814 DOI: 10.1529/biophysj.108.133702 |
0.01 |
|
| 2008 |
Gnanakaran S, Scott B, McCleskey TM, Garcia AE. Perturbation of local solvent structure by a small dication: a theoretical study on structural, vibrational, and reactive properties of beryllium ion in water. The Journal of Physical Chemistry. B. 112: 2958-63. PMID 18281967 DOI: 10.1021/jp076001w |
0.01 |
|
| 2008 |
Garcia AE, Paschek D. Simulation of the pressure and temperature folding/unfolding equilibrium of a small RNA hairpin. Journal of the American Chemical Society. 130: 815-7. PMID 18154332 DOI: 10.1021/ja074191i |
0.01 |
|
| 2008 |
Garcia AE. Molecular dynamics simulations of protein folding. Methods in Molecular Biology (Clifton, N.J.). 413: 315-30. PMID 18075171 |
0.01 |
|
| 2008 |
Day R, GarcÃa AE. Water penetration in the low and high pressure native states of ubiquitin. Proteins. 70: 1175-84. PMID 17847086 DOI: 10.1002/prot.21562 |
0.01 |
|
| 2007 |
Herce HD, Garcia AE. Cell penetrating peptides: how do they do it? Journal of Biological Physics. 33: 345-56. PMID 19669523 DOI: 10.1007/s10867-008-9074-3 |
0.01 |
|
| 2007 |
Herce HD, Garcia AE. Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes. Proceedings of the National Academy of Sciences of the United States of America. 104: 20805-10. PMID 18093956 DOI: 10.1073/pnas.0706574105 |
0.01 |
|
| 2007 |
Yang S, Onuchic JN, GarcÃa AE, Levine H. Folding time predictions from all-atom replica exchange simulations. Journal of Molecular Biology. 372: 756-63. PMID 17681536 DOI: 10.1016/j.jmb.2007.07.010 |
0.01 |
|
| 2007 |
Damjanović A, Schlessman JL, Fitch CA, GarcÃa AE, GarcÃa-Moreno E B. Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins. Biophysical Journal. 93: 2791-804. PMID 17604315 DOI: 10.1529/biophysj.107.104182 |
0.01 |
|
| 2007 |
Herce HD, Garcia AE, Darden T. The electrostatic surface term: (I) periodic systems. The Journal of Chemical Physics. 126: 124106. PMID 17411107 DOI: 10.1063/1.2714527 |
0.01 |
|
| 2007 |
Sgourakis NG, Yan Y, McCallum SA, Wang C, Garcia AE. The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study. Journal of Molecular Biology. 368: 1448-57. PMID 17397862 DOI: 10.1016/j.jmb.2007.02.093 |
0.01 |
|
| 2007 |
Paschek D, Nymeyer H, GarcÃa AE. Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: on the structure and possible role of internal water. Journal of Structural Biology. 157: 524-33. PMID 17293125 DOI: 10.1016/j.jsb.2006.10.031 |
0.01 |
|
| 2007 |
Jayachandran G, Vishal V, GarcÃa AE, Pande VS. Local structure formation in simulations of two small proteins. Journal of Structural Biology. 157: 491-9. PMID 17098444 DOI: 10.1016/j.jsb.2006.10.001 |
0.01 |
|
| 2006 |
Mijares IA, López P, Rosado JL, Cebrián A, Vera-Aguilar E, Alatorre J, Quintanilla-Vega MB, García AE, Stoltzfus RJ, Cebrián ME, García-Vargas GG. Delta-aminolevulinic Acid dehydratase genotype and its relationship with blood lead and zinc protoporphyrin levels in lead-exposed children living in a smelter community in northern Mexico. Toxicology Mechanisms and Methods. 16: 41-7. PMID 20021040 DOI: 10.1080/15376520500191946 |
0.01 |
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| 2006 |
Herce HD, Garcia AE. Correction of apparent finite size effects in the area per lipid of lipid membranes simulations. The Journal of Chemical Physics. 125: 224711. PMID 17176158 DOI: 10.1063/1.2378893 |
0.01 |
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| 2006 |
Gnanakaran S, Nussinov R, GarcÃa AE. Atomic-level description of amyloid beta-dimer formation. Journal of the American Chemical Society. 128: 2158-9. PMID 16478138 DOI: 10.1021/ja0548337 |
0.01 |
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| 2005 |
GarcÃa AE, Miñambres SD, Tobajas QM, Viló LV. [Mortality records in a health district]. Atencion Primaria / Sociedad EspañOla De Medicina De Familia Y Comunitaria. 36: 466. PMID 16287562 |
0.01 |
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| 2005 |
Damjanović A, GarcÃa-Moreno B, Lattman EE, GarcÃa AE. Molecular dynamics study of water penetration in staphylococcal nuclease. Proteins. 60: 433-49. PMID 15971206 DOI: 10.1002/prot.20486 |
0.01 |
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| 2005 |
Garcia AE, Onuchic JN. Folding a protein in the computer: reality or hope? Structure (London, England : 1993). 13: 497-8. PMID 15837185 DOI: 10.1016/j.str.2005.03.005 |
0.01 |
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| 2005 |
Nymeyer H, Woolf TB, Garcia AE. Folding is not required for bilayer insertion: replica exchange simulations of an alpha-helical peptide with an explicit lipid bilayer. Proteins. 59: 783-90. PMID 15828005 DOI: 10.1002/prot.20460 |
0.01 |
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| 2005 |
Gnanakaran S, GarcÃa AE. Helix-coil transition of alanine peptides in water: force field dependence on the folded and unfolded structures. Proteins. 59: 773-82. PMID 15815975 DOI: 10.1002/prot.20439 |
0.01 |
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| 2005 |
Paschek D, Gnanakaran S, Garcia AE. Simulations of the pressure and temperature unfolding of an alpha-helical peptide. Proceedings of the National Academy of Sciences of the United States of America. 102: 6765-70. PMID 15800045 DOI: 10.1073/pnas.0408527102 |
0.01 |
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| 2004 |
Paschek D, GarcÃa AE. Reversible temperature and pressure denaturation of a protein fragment: a replica exchange molecular dynamics simulation study. Physical Review Letters. 93: 238105. PMID 15601210 DOI: 10.1103/PHYSREVLETT.93.238105 |
0.01 |
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| 2004 |
Gnanakaran S, Hochstrasser RM, GarcÃa AE. Nature of structural inhomogeneities on folding a helix and their influence on spectral measurements. Proceedings of the National Academy of Sciences of the United States of America. 101: 9229-34. PMID 15197256 DOI: 10.1073/pnas.0402933101 |
0.01 |
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| 2004 |
Lurie IS, Hays PA, Garcia AE, Panicker S. Use of dynamically coated capillaries for the determination of heroin, basic impurities and adulterants with capillary electrophoresis. Journal of Chromatography. A. 1034: 227-35. PMID 15116935 DOI: 10.1016/j.chroma.2004.01.062 |
0.01 |
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| 2004 |
Petrone PM, Garcia AE. MHC-peptide binding is assisted by bound water molecules. Journal of Molecular Biology. 338: 419-35. PMID 15066441 DOI: 10.1016/j.jmb.2004.02.039 |
0.01 |
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| 2004 |
Nymeyer H, Gnanakaran S, García AE. Atomic simulations of protein folding, using the replica exchange algorithm. Methods in Enzymology. 383: 119-49. PMID 15063649 DOI: 10.1016/S0076-6879(04)83006-4 |
0.01 |
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| 2003 |
GarcÃa AE, Onuchic JN. Folding a protein in a computer: an atomic description of the folding/unfolding of protein A. Proceedings of the National Academy of Sciences of the United States of America. 100: 13898-903. PMID 14623983 DOI: 10.1073/pnas.2335541100 |
0.01 |
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| 2003 |
Nymeyer H, GarcÃa AE. Simulation of the folding equilibrium of alpha-helical peptides: a comparison of the generalized Born approximation with explicit solvent. Proceedings of the National Academy of Sciences of the United States of America. 100: 13934-9. PMID 14617775 DOI: 10.1073/pnas.2232868100 |
0.01 |
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| 2003 |
Ghosh T, Garde S, GarcÃa AE. Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution. Biophysical Journal. 85: 3187-93. PMID 14581218 DOI: 10.1016/S0006-3495(03)74736-5 |
0.01 |
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| 2003 |
Gnanakaran S, Nymeyer H, Portman J, Sanbonmatsu KY, GarcÃa AE. Peptide folding simulations. Current Opinion in Structural Biology. 13: 168-74. PMID 12727509 DOI: 10.1016/S0959-440X(03)00040-X |
0.01 |
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| 2003 |
Gnanakaran S, Garcia AE. Folding of a highly conserved diverging turn motif from the SH3 domain. Biophysical Journal. 84: 1548-62. PMID 12609860 DOI: 10.1016/S0006-3495(03)74966-2 |
0.01 |
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| 2003 |
Clementi C, GarcÃa AE, Onuchic JN. Interplay among tertiary contacts, secondary structure formation and side-chain packing in the protein folding mechanism: all-atom representation study of protein L. Journal of Molecular Biology. 326: 933-54. PMID 12581651 DOI: 10.1016/S0022-2836(02)01379-7 |
0.01 |
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| 2002 |
Sagristá ML, GarcÃa AE, Africa De Madariaga M, Mora M. Antioxidant and pro-oxidant effect of the thiolic compounds N-acetyl-L-cysteine and glutathione against free radical-induced lipid peroxidation. Free Radical Research. 36: 329-40. PMID 12071352 |
0.01 |
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| 2002 |
GarcÃa AE, Sanbonmatsu KY. Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds. Proceedings of the National Academy of Sciences of the United States of America. 99: 2782-7. PMID 11867710 DOI: 10.1073/pnas.042496899 |
0.01 |
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| 2002 |
Sanbonmatsu KY, GarcÃa AE. Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics. Proteins. 46: 225-34. PMID 11807951 DOI: 10.1002/prot.1167 |
0.01 |
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| 2002 |
Cheung MS, GarcÃa AE, Onuchic JN. Protein folding mediated by solvation: water expulsion and formation of the hydrophobic core occur after the structural collapse. Proceedings of the National Academy of Sciences of the United States of America. 99: 685-90. PMID 11805324 DOI: 10.1073/pnas.022387699 |
0.01 |
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| 2001 |
Ghosh T, GarcÃa AE, Garde S. Molecular dynamics simulations of pressure effects on hydrophobic interactions. Journal of the American Chemical Society. 123: 10997-1003. PMID 11686704 DOI: 10.1021/ja010446v |
0.01 |
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| 2001 |
Baker CH, Tomlinson SR, GarcÃa AE, Harman JG. Amino acid substitution at position 99 affects the rate of CRP subunit exchange. Biochemistry. 40: 12329-38. PMID 11591152 DOI: 10.1021/bi010834 |
0.01 |
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| 2001 |
Vigil D, Gallagher SC, Trewhella J, GarcÃa AE. Functional dynamics of the hydrophobic cleft in the N-domain of calmodulin. Biophysical Journal. 80: 2082-92. PMID 11325712 DOI: 10.1016/S0006-3495(01)76182-6 |
0.01 |
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| 2001 |
GarcÃa AE, Sanbonmatsu KY. Exploring the energy landscape of a beta hairpin in explicit solvent. Proteins. 42: 345-54. PMID 11151006 DOI: 10.1002/1097-0134(20010215)42:3<345::AID-PROT50>3.0.CO;2-H |
0.01 |
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| 1999 |
Garde S, García AE, Pratt LR, Hummer G. Temperature dependence of the solubility of non-polar gases in water. Biophysical Chemistry. 78: 21-32. PMID 17030303 DOI: 10.1016/S0301-4622(99)00018-6 |
0.01 |
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