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Heather A. Carlson - Publications

Affiliations: 
Chemistry University of Michigan, Ann Arbor, Ann Arbor, MI 
Area:
protein-ligand recognition, protein flexibility, and new methods for computer-aided drug discovery
Website:
http://www.ccmb.med.umich.edu/node/201
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89 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Chan WKB, Carlson HA, Traynor JR. . Molecular Pharmacology. PMID 36868791 DOI: 10.1124/molpharm.122.000612  0.746
2023 Wagle S, Smith RD, Dominic AJ, DasGupta D, Tripathi SK, Carlson HA. Sunsetting Binding MOAD with its last data update and the addition of 3D-ligand polypharmacology tools. Scientific Reports. 13: 3008. PMID 36810894 DOI: 10.1038/s41598-023-29996-w  0.421
2022 Motl N, Smith RD, Carlson HA, Scott EE. Profiling the Cytochrome P450 2J2 Active Site. Faseb Journal : Official Publication of the Federation of American Societies For Experimental Biology. PMID 35553025 DOI: 10.1096/fasebj.2022.36.S1.R5384  0.305
2022 Lal Gupta P, Carlson HA. Cosolvent Simulations with Fragment-Bound Proteins Identify Hot Spots to Direct Lead Growth. Journal of Chemical Theory and Computation. PMID 35533286 DOI: 10.1021/acs.jctc.1c01054  0.373
2022 Chan WKB, Olson KM, Wotring JW, Sexton JZ, Carlson HA, Traynor JR. In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs. Scientific Reports. 12: 5320. PMID 35351926 DOI: 10.1038/s41598-022-08320-y  0.748
2022 DasGupta D, Chan WKB, Carlson HA. Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease. Journal of Chemical Information and Modeling. PMID 35107014 DOI: 10.1021/acs.jcim.1c01223  0.68
2021 Chan WKB, DasGupta D, Carlson HA, Traynor JR. Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4. Journal of Computational Chemistry. PMID 34494289 DOI: 10.1002/jcc.26747  0.758
2021 Smith RD, Carlson HA. Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics. Journal of Chemical Information and Modeling. PMID 33599485 DOI: 10.1021/acs.jcim.0c01002  0.504
2021 Makley LN, Johnson OT, Ghanakota P, Rauch JN, Osborn D, Wu TS, Cierpicki T, Carlson HA, Gestwicki JE. Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods. Bioorganic & Medicinal Chemistry. 34: 115990. PMID 33549906 DOI: 10.1016/j.bmc.2020.115990  0.348
2020 Clark JJ, Orban ZJ, Carlson HA. Predicting binding sites from unbound versus bound protein structures. Scientific Reports. 10: 15856. PMID 32985584 DOI: 10.1038/s41598-020-72906-7  0.756
2020 Chan W, Carlson H, Traynor J. Cosolvent Molecular Dynamics Simulation‐Based Discovery of Potential Allosteric Sites on Regulator of G Protein Signaling 4 The Faseb Journal. 34: 1-1. DOI: 10.1096/Fasebj.2020.34.S1.07054  0.737
2019 Smith RD, Clark JJ, Ahmed A, Orban ZJ, Dunbar JB, Carlson HA. Updates to Binding MOAD (Mother of All Databases): Polypharmacology Tools and Their Utility in Drug Repurposing. Journal of Molecular Biology. PMID 31125569 DOI: 10.1016/J.Jmb.2019.05.024  0.776
2019 Ghanakota P, DasGupta D, Carlson HA. Free energies and entropies of binding sites identified by MixMD cosolvent simulations. Journal of Chemical Information and Modeling. PMID 31017411 DOI: 10.1021/Acs.Jcim.8B00925  0.417
2019 Clark JJ, Benson ML, Smith RD, Carlson HA. Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures. Plos Computational Biology. 15: e1006705. PMID 30699115 DOI: 10.1371/Journal.Pcbi.1006705  0.814
2018 Graham S, Leja N, Carlson HA. MixMD Probeview: Robust Binding Site Prediction from Cosolvent Simulations. Journal of Chemical Information and Modeling. PMID 29905479 DOI: 10.1021/Acs.Jcim.8B00265  0.421
2018 Hirmke A, Dua M, Early CJ, Maxson PF, Mujtaba M, Noureddine M, Mudra Rakshasa A, Carlson HA, Lerner MG. Correlated Motions in Several Variants of the DHFR-NADPH Complex Biophysical Journal. 114: 234a. DOI: 10.1016/J.Bpj.2017.11.1302  0.597
2017 Graham S, Smith RD, Carlson HA. Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics. Journal of Chemical Information and Modeling. PMID 29286658 DOI: 10.1021/Acs.Jcim.7B00268  0.525
2017 Smith RD, Lu J, Carlson HA. Are there physicochemical differences between allosteric and competitive ligands? Plos Computational Biology. 13: e1005813. PMID 29125840 DOI: 10.1371/Journal.Pcbi.1005813  0.484
2017 Ghanakota P, Carlson HA. Comparing pharmacophore models derived from crystallography and NMR ensembles. Journal of Computer-Aided Molecular Design. PMID 29047011 DOI: 10.1007/S10822-017-0077-7  0.441
2017 Earley CJ, Maxson PF, Murda Rakshasa A, Carlson HA, Lerner MG. Correlated Motions in the DHFR-NADPH Complex Biophysical Journal. 112: 498a. DOI: 10.1016/J.Bpj.2016.11.2695  0.627
2016 Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK. D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions. Journal of Computer-Aided Molecular Design. 30: 651-668. PMID 27696240 DOI: 10.1007/S10822-016-9946-8  0.637
2016 Ghanakota P, Carlson HA. Driving Structure Based Drug Discovery through Cosolvent Molecular Dynamics. Journal of Medicinal Chemistry. PMID 27486927 DOI: 10.1021/Acs.Jmedchem.6B00399  0.438
2016 Ghanakota P, Carlson HA. Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems. The Journal of Physical Chemistry. B. PMID 27258368 DOI: 10.1021/Acs.Jpcb.6B03515  0.444
2016 Carlson HA, Smith RD, Damm-Ganamet KL, Stuckey JA, Ahmed A, Convery MA, Somers DO, Kranz M, Elkins PA, Cui G, Peishoff CE, Lambert MH, Dunbar JB. CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma. Journal of Chemical Information and Modeling. PMID 27149958 DOI: 10.1021/Acs.Jcim.5B00523  0.504
2016 Graham SE, Tweedy SE, Carlson HA. Dynamic Behavior of the Post-SET Loop Region of NSD1: Implications for Histone Binding and Drug Development. Protein Science : a Publication of the Protein Society. PMID 26940890 DOI: 10.1002/Pro.2912  0.376
2015 Smith RD, Damm-Ganamet KL, Dunbar JB, Ahmed A, Chinnaswamy K, Delproposto JE, Kubish GM, Tinberg CE, Khare SD, Dou J, Doyle L, Stuckey JA, Baker D, Carlson HA. CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. Journal of Chemical Information and Modeling. PMID 26419257 DOI: 10.1021/Acs.Jcim.5B00387  0.511
2015 Ung PM, Ghanakota P, Graham SE, Lexa KW, Carlson HA. Identifying binding hot spots on protein surfaces by mixed-solvent MD: HIV-1 protease as a test case. Biopolymers. PMID 26385317 DOI: 10.1002/Bip.22742  0.757
2015 Ahmed A, Smith RD, Clark JJ, Dunbar JB, Carlson HA. Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures. Nucleic Acids Research. 43: D465-9. PMID 25378330 DOI: 10.1093/Nar/Gku1088  0.761
2014 Ung PM, Dunbar JB, Gestwicki JE, Carlson HA. An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases. Journal of Medicinal Chemistry. 57: 6468-78. PMID 25062388 DOI: 10.1021/Jm5008352  0.412
2014 Lexa KW, Goh GB, Carlson HA. Parameter choice matters: validating probe parameters for use in mixed-solvent simulations. Journal of Chemical Information and Modeling. 54: 2190-9. PMID 25058662 DOI: 10.1021/Ci400741U  0.745
2013 Khazanov NA, Carlson HA. Exploring the composition of protein-ligand binding sites on a large scale. Plos Computational Biology. 9: e1003321. PMID 24277997 DOI: 10.1371/Journal.Pcbi.1003321  0.79
2013 Ung PM, Thompson AD, Chang L, Gestwicki JE, Carlson HA. Identification of key hinge residues important for nucleotide-dependent allostery in E. coli Hsp70/DnaK. Plos Computational Biology. 9: e1003279. PMID 24277995 DOI: 10.1371/Journal.Pcbi.1003279  0.366
2013 Carlson HA. Check your confidence: size really does matter. Journal of Chemical Information and Modeling. 53: 1837-41. PMID 23909878 DOI: 10.1021/Ci4004249  0.317
2013 Dunbar JB, Smith RD, Damm-Ganamet KL, Ahmed A, Esposito EX, Delproposto J, Chinnaswamy K, Kang YN, Kubish G, Gestwicki JE, Stuckey JA, Carlson HA. CSAR data set release 2012: ligands, affinities, complexes, and docking decoys. Journal of Chemical Information and Modeling. 53: 1842-52. PMID 23617227 DOI: 10.1021/Ci4000486  0.498
2013 Damm-Ganamet KL, Smith RD, Dunbar JB, Stuckey JA, Carlson HA. CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric series. Journal of Chemical Information and Modeling. 53: 1853-70. PMID 23548044 DOI: 10.1021/Ci400025F  0.515
2013 Lexa KW, Carlson HA. Improving protocols for protein mapping through proper comparison to crystallography data. Journal of Chemical Information and Modeling. 53: 391-402. PMID 23327200 DOI: 10.1021/Ci300430V  0.76
2012 Khazanov NA, Damm-Ganamet KL, Quang DX, Carlson HA. Overcoming sequence misalignments with weighted structural superposition. Proteins. 80: 2523-35. PMID 22733542 DOI: 10.1002/Prot.24134  0.73
2012 Smith RD, Engdahl AL, Dunbar JB, Carlson HA. Biophysical limits of protein-ligand binding. Journal of Chemical Information and Modeling. 52: 2098-106. PMID 22713103 DOI: 10.1021/Ci200612F  0.515
2012 Lexa KW, Carlson HA. Protein flexibility in docking and surface mapping. Quarterly Reviews of Biophysics. 45: 301-43. PMID 22569329 DOI: 10.1017/S0033583512000066  0.775
2011 Smith RD, Dunbar JB, Ung PM, Esposito EX, Yang CY, Wang S, Carlson HA. CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. Journal of Chemical Information and Modeling. 51: 2115-31. PMID 21809884 DOI: 10.1021/Ci200269Q  0.468
2011 Dunbar JB, Smith RD, Yang CY, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. Journal of Chemical Information and Modeling. 51: 2036-46. PMID 21728306 DOI: 10.1021/Ci200082T  0.788
2011 Lexa KW, Carlson HA. Binding to the open conformation of HIV-1 protease. Proteins. 79: 2282-90. PMID 21604303 DOI: 10.1002/Prot.23054  0.765
2011 Spronk SA, Carlson HA. The role of tyrosine 71 in modulating the flap conformations of BACE1. Proteins. 79: 2247-59. PMID 21590744 DOI: 10.1002/Prot.23050  0.415
2011 Chang L, Miyata Y, Ung PM, Bertelsen EB, McQuade TJ, Carlson HA, Zuiderweg ER, Gestwicki JE. Chemical screens against a reconstituted multiprotein complex: myricetin blocks DnaJ regulation of DnaK through an allosteric mechanism. Chemistry & Biology. 18: 210-21. PMID 21338918 DOI: 10.1016/J.Chembiol.2010.12.010  0.374
2011 Lexa KW, Carlson HA. Full protein flexibility is essential for proper hot-spot mapping. Journal of the American Chemical Society. 133: 200-2. PMID 21158470 DOI: 10.1021/Ja1079332  0.758
2011 Dunbar JB, Smith RD, Yang C, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes Journal of Chemical Information and Modeling. 51: 2146-2146. DOI: 10.1021/Ci200363Q  0.745
2010 Reinke AA, Ung PM, Quintero JJ, Carlson HA, Gestwicki JE. Chemical probes that selectively recognize the earliest Aβ oligomers in complex mixtures. Journal of the American Chemical Society. 132: 17655-7. PMID 21105683 DOI: 10.1021/Ja106291E  0.663
2010 Wisén S, Bertelsen EB, Thompson AD, Patury S, Ung P, Chang L, Evans CG, Walter GM, Wipf P, Carlson HA, Brodsky JL, Zuiderweg ER, Gestwicki JE. Binding of a small molecule at a protein-protein interface regulates the chaperone activity of hsp70-hsp40. Acs Chemical Biology. 5: 611-22. PMID 20481474 DOI: 10.1021/Cb1000422  0.354
2010 Chang L, Thompson AD, Ung P, Carlson HA, Gestwicki JE. Mutagenesis reveals the complex relationships between ATPase rate and the chaperone activities of Escherichia coli heat shock protein 70 (Hsp70/DnaK). The Journal of Biological Chemistry. 285: 21282-91. PMID 20439464 DOI: 10.1074/Jbc.M110.124149  0.326
2010 BENSON ML, SMITH RD, KHAZANOV NA, CARLSON HA, DIMCHEFF B, DRESSLAR P. UPDATING BINDING MOAD — DATA MANAGEMENT AND INFORMATION WORKFLOW New Mathematics and Natural Computation. 6: 49-56. DOI: 10.1142/S1793005710001608  0.75
2009 Schuyler AD, Carlson HA, Feldman EL. Computational methods for predicting sites of functionally important dynamics. The Journal of Physical Chemistry. B. 113: 6613-22. PMID 19378962 DOI: 10.1016/J.Bpj.2008.12.3643  0.369
2009 Lexa KW, Damm KL, Quintero JJ, Gestwicki JE, Carlson HA. Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease. Proteins. 74: 872-80. PMID 18704936 DOI: 10.1002/Prot.22195  0.765
2008 Carlson HA, Smith RD, Khazanov NA, Kirchhoff PD, Dunbar JB, Benson ML. Differences between high- and low-affinity complexes of enzymes and nonenzymes. Journal of Medicinal Chemistry. 51: 6432-41. PMID 18826206 DOI: 10.1021/Jm8006504  0.804
2008 Lerner MG, Meagher KL, Carlson HA. Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design. Journal of Computer-Aided Molecular Design. 22: 727-36. PMID 18679808 DOI: 10.1007/S10822-008-9231-6  0.792
2008 Damm KL, Ung PM, Quintero JJ, Gestwicki JE, Carlson HA. A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket. Biopolymers. 89: 643-52. PMID 18381626 DOI: 10.1002/Bip.20993  0.803
2008 Benson ML, Smith RD, Khazanov NA, Dimcheff B, Beaver J, Dresslar P, Nerothin J, Carlson HA. Binding MOAD, a high-quality protein-ligand database. Nucleic Acids Research. 36: D674-8. PMID 18055497 DOI: 10.1093/Nar/Gkm911  0.814
2007 Bowman AL, Nikolovska-Coleska Z, Zhong H, Wang S, Carlson HA. Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models. Journal of the American Chemical Society. 129: 12809-14. PMID 17902662 DOI: 10.1021/Ja073687X  0.424
2007 Lerner MG, Bowman AL, Carlson HA. Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery. Journal of Chemical Information and Modeling. 47: 2358-65. PMID 17877338 DOI: 10.1021/Ci700167N  0.709
2007 Damm KL, Carlson HA. Exploring experimental sources of multiple protein conformations in structure-based drug design. Journal of the American Chemical Society. 129: 8225-35. PMID 17555316 DOI: 10.1021/Ja0709728  0.825
2007 Bowman AL, Lerner MG, Carlson HA. Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system. Journal of the American Chemical Society. 129: 3634-40. PMID 17335207 DOI: 10.1021/Ja068256D  0.697
2006 Zhong H, Carlson HA. Conformational Studies of Polyprolines. Journal of Chemical Theory and Computation. 2: 342-53. PMID 26626523 DOI: 10.1021/Ct050182T  0.313
2006 Meagher KL, Lerner MG, Carlson HA. Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models. Journal of Medicinal Chemistry. 49: 3478-84. PMID 16759090 DOI: 10.1021/Jm050755M  0.803
2006 Damm KL, Carlson HA. Gaussian-weighted RMSD superposition of proteins: a structural comparison for flexible proteins and predicted protein structures. Biophysical Journal. 90: 4558-73. PMID 16565070 DOI: 10.1529/Biophysj.105.066654  0.804
2006 Smith RD, Hu L, Falkner JA, Benson ML, Nerothin JP, Carlson HA. Exploring protein-ligand recognition with Binding MOAD. Journal of Molecular Graphics & Modelling. 24: 414-25. PMID 16168689 DOI: 10.1016/J.Jmgm.2005.08.002  0.672
2005 Kravitz JY, Pecoraro VL, Carlson HA. Quantum Mechanics/Molecular Mechanics Calculations of the Vanadium Dependent Chloroperoxidase. Journal of Chemical Theory and Computation. 1: 1265-74. PMID 26631670 DOI: 10.1021/Ct050132O  0.789
2005 Tan XJ, Carlson HA. Docking studies and ligand recognition in folylpolyglutamate synthetase. Journal of Medicinal Chemistry. 48: 7764-72. PMID 16302815 DOI: 10.1021/Jm0507734  0.474
2005 Hu L, Benson ML, Smith RD, Lerner MG, Carlson HA. Binding MOAD (Mother Of All Databases). Proteins. 60: 333-40. PMID 15971202 DOI: 10.1002/Prot.20512  0.786
2005 Todorov KA, Tan XJ, Nonekowski ST, Garcia GA, Carlson HA. The role of aspartic acid 143 in E. coli tRNA-guanine transglycosylase: insights from mutagenesis studies and computational modeling. Biophysical Journal. 89: 1965-77. PMID 15951383 DOI: 10.1529/Biophysj.105.059576  0.32
2005 Meagher KL, Carlson HA. Solvation influences flap collapse in HIV-1 protease. Proteins. 58: 119-25. PMID 15521062 DOI: 10.1002/Prot.20274  0.811
2005 Zhong H, Carlson HA. Computational studies and peptidomimetic design for the human p53-MDM2 complex. Proteins. 58: 222-34. PMID 15505803 DOI: 10.1002/Prot.20275  0.365
2005 Kravitz JY, Pecoraro VL, Carlson HA. Quantum mechanics/molecular mechanics calculations of the vanadium dependent chloroperoxidase Journal of Chemical Theory and Computation. 1: 1265-1274. DOI: 10.1021/ct050132o  0.745
2004 Meagher KL, Carlson HA. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case. Journal of the American Chemical Society. 126: 13276-81. PMID 15479081 DOI: 10.1021/Ja0469378  0.818
2004 Zampella G, Kravitz JY, Webster CE, Fantucci P, Hall MB, Carlson HA, Pecoraro VL, De Luca L. Quantum mechanical models of the resting state of the vanadium-dependent haloperoxidase. Inorganic Chemistry. 43: 4127-36. PMID 15236524 DOI: 10.1021/Ic0353256  0.786
2003 Sandvoss LM, Carlson HA. Conformational behavior of beta-proline oligomers. Journal of the American Chemical Society. 125: 15855-62. PMID 14677977 DOI: 10.1021/Ja036471D  0.313
2003 Meagher KL, Redman LT, Carlson HA. Development of polyphosphate parameters for use with the AMBER force field. Journal of Computational Chemistry. 24: 1016-25. PMID 12759902 DOI: 10.1002/Jcc.10262  0.754
2002 Carlson HA. Protein flexibility and drug design: how to hit a moving target. Current Opinion in Chemical Biology. 6: 447-52. PMID 12133719 DOI: 10.1016/S1367-5931(02)00341-1  0.364
2002 Carlson HA. Protein flexibility is an important component of structure-based drug discovery. Current Pharmaceutical Design. 8: 1571-8. PMID 12052201 DOI: 10.2174/1381612023394232  0.496
2000 Carlson HA, Masukawa KM, Rubins K, Bushman FD, Jorgensen WL, Lins RD, Briggs JM, McCammon JA. Developing a dynamic pharmacophore model for HIV-1 integrase. Journal of Medicinal Chemistry. 43: 2100-14. PMID 10841789 DOI: 10.1021/Jm990322H  0.817
2000 Carlson HA, McCammon JA. Accommodating protein flexibility in computational drug design. Molecular Pharmacology. 57: 213-8. PMID 10648630  0.388
1999 Lins RD, Briggs JM, Straatsma TP, Carlson HA, Greenwald J, Choe S, McCammon JA. Molecular dynamics studies on the HIV-1 integrase catalytic domain. Biophysical Journal. 76: 2999-3011. PMID 10354426 DOI: 10.1016/S0006-3495(99)77453-9  0.785
1999 Carlson HA, Briggs JM, McCammon JA. Calculation of the pKa values for the ligands and side chains of Escherichia coli D-alanine:D-alanine ligase. Journal of Medicinal Chemistry. 42: 109-17. PMID 9888837 DOI: 10.1021/jm980351c  0.604
1999 Carlson HA, Masukawa KM, McCammon JA. Method for Including the Dynamic Fluctuations of a Protein in Computer-Aided Drug Design The Journal of Physical Chemistry A. 103: 10213-10219. DOI: 10.1021/Jp991997Z  0.624
1999 Potter MJ, Kirchhoff PD, Carlson HA, McCammon JA. Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model Journal of Computational Chemistry. 20: 956-970. DOI: 10.1002/(Sici)1096-987X(19990715)20:9<956::Aid-Jcc7>3.0.Co;2-R  0.473
1999 Potter MJ, Kirchhoff PD, Carlson HA, Mccammon JA. Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model Journal of Computational Chemistry. 20: 956-970.  0.367
1997 McDonald NA, Carlson HA, Jorgensen WL. Free energies of solvation in chloroform and water from a linear response approach Journal of Physical Organic Chemistry. 10: 563-576. DOI: 10.1002/(Sici)1099-1395(199707)10:7<563::Aid-Poc912>3.0.Co;2-0  0.459
1996 Carlson HA, Jorgensen WL. Monte Carlo investigations of solvent effects on the chorismate to prephenate rearrangement Journal of the American Chemical Society. 118: 8475-8484. DOI: 10.1021/Ja961500O  0.509
1995 Carlson HA, Jorgensen WL. An Extended Linear Response Method for Determining Free Energies of Hydration The Journal of Physical Chemistry. 99: 10667-10673. DOI: 10.1021/J100026A034  0.423
1995 Carlson HA, Jorgensen WL. Investigations into the stereochemistry of cyclophane-steroid complexes via Monte Carlo simulations Tetrahedron. 51: 449-472. DOI: 10.1016/0040-4020(94)00908-D  0.476
1993 Carlson HA, Nguyen TB, Orozco M, Jorgensen WL. Accuracy of free energies of hydration for organic molecules from 6-31g*-derived partial charges Journal of Computational Chemistry. 14: 1240-1249. DOI: 10.1002/Jcc.540141013  0.451
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