| Year |
Citation |
Score |
| 2023 |
Languin-Cattoën O, Sterpone F, Stirnemann G. Binding site plasticity regulation of the FimH catch-bond mechanism. Biophysical Journal. PMID 37264571 DOI: 10.1016/j.bpj.2023.05.029 |
0.633 |
|
| 2023 |
Timr S, Melchionna S, Derreumaux P, Sterpone F. Optimized OPEP Force Field for Simulation of Crowded Protein Solutions. The Journal of Physical Chemistry. B. 127: 3616-3623. PMID 37071827 DOI: 10.1021/acs.jpcb.3c00253 |
0.381 |
|
| 2022 |
Bolik-Coulon N, Languin-Cattoën O, Carnevale D, Zachrdla M, Laage D, Sterpone F, Stirnemann G, Ferrage F. Explicit Models of Motion to Understand Protein Side-Chain Dynamics. Physical Review Letters. 129: 203001. PMID 36462011 DOI: 10.1103/PhysRevLett.129.203001 |
0.751 |
|
| 2022 |
Iorio A, Brochier-Armanet C, Mas C, Sterpone F, Madern D. Protein Conformational Space at the Edge of Allostery: Turning a Non-allosteric Malate Dehydrogenase into an "Allosterized" Enzyme using Evolution Guided Punctual Mutations. Molecular Biology and Evolution. PMID 36056899 DOI: 10.1093/molbev/msac186 |
0.347 |
|
| 2021 |
Hardiagon A, Murail S, Huang LB, van der Lee A, Sterpone F, Barboiu M, Baaden M. Molecular dynamics simulations reveal statistics and microscopic mechanisms of water permeation in membrane-embedded artificial water channel nanoconstructs. The Journal of Chemical Physics. 154: 184102. PMID 34241013 DOI: 10.1063/5.0044360 |
0.347 |
|
| 2021 |
Katava M, Stirnemann G, Pachetti M, Capaccioli S, Paciaroni A, Sterpone F. Specific Interactions and Environment Flexibility Tune Protein Stability under Extreme Crowding. The Journal of Physical Chemistry. B. PMID 34100611 DOI: 10.1021/acs.jpcb.1c01511 |
0.683 |
|
| 2020 |
Maffucci I, Laage D, Stirnemann G, Sterpone F. Differences in thermal structural changes and melting between mesophilic and thermophilic dihydrofolate reductase enzymes. Physical Chemistry Chemical Physics : Pccp. 22: 18361-18373. PMID 32789320 DOI: 10.1039/D0Cp02738C |
0.769 |
|
| 2020 |
Stirnemann G, Sterpone F, Maffucci I, Laage D. Thermal adaptation of enzymes: impacts of conformational shifts on catalytic activation energy and optimum temperature. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32490588 DOI: 10.1002/Chem.202001973 |
0.753 |
|
| 2020 |
Timr S, Gnutt D, Ebbinghaus S, Sterpone F. The Unfolding Journey of Superoxide Dismutase 1 Barrels under Crowding: Atomistic Simulations Shed Light on Intermediate States and Their Interactions with Crowders. The Journal of Physical Chemistry Letters. 11: 4206-4212. PMID 32364389 DOI: 10.1021/Acs.Jpclett.0C00699 |
0.344 |
|
| 2020 |
Timr S, Madern D, Sterpone F. Protein thermal stability. Progress in Molecular Biology and Translational Science. 170: 239-272. PMID 32145947 DOI: 10.1016/bs.pmbts.2019.12.007 |
0.34 |
|
| 2019 |
F Brandner A, Timr S, Melchionna S, Derreumaux P, Baaden M, Sterpone F. Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics. Scientific Reports. 9: 16450. PMID 31712588 DOI: 10.1038/S41598-019-52760-Y |
0.308 |
|
| 2019 |
Barroso da Silva FL, Sterpone F, Derreumaux P. OPEP6: A new constant-pH Molecular Dynamics simulation scheme with OPEP coarse-grained force field. Journal of Chemical Theory and Computation. PMID 31059255 DOI: 10.1021/Acs.Jctc.9B00202 |
0.394 |
|
| 2019 |
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F. Multiscale Aggregation of the Amyloid Aβ Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils. The Journal of Physical Chemistry Letters. 1594-1599. PMID 30892042 DOI: 10.1021/Acs.Jpclett.9B00423 |
0.307 |
|
| 2019 |
Miocchi P, Derreumaux P, Sterpone F, Melchionna S. Mesoscale biosimulations within a unified framework: from proteins to plasmids Molecular Simulation. 1-12. DOI: 10.1080/08927022.2018.1560439 |
0.396 |
|
| 2019 |
Timr S, Melchionna S, Derreumaux P, Sterpone F. Multi-Scale Simulations Yield Insight into Protein Diffusion and Stability in Crowded Environments Biophysical Journal. 116: 38a. DOI: 10.1016/J.Bpj.2018.11.247 |
0.363 |
|
| 2018 |
Languin-Cattoen O, Melchionna S, Derreumaux P, Stirnemann G, Sterpone F. Three Weaknesses for Three Perturbations: Comparing Protein Unfolding under Shear, Force and Thermal Stresses. The Journal of Physical Chemistry. B. PMID 30444631 DOI: 10.1021/Acs.Jpcb.8B08711 |
0.71 |
|
| 2018 |
Murail S, Vasiliu T, Neamtu A, Barboiu M, Sterpone F, Baaden M. Water permeation across artificial I-quartet membrane channels: from structure to disorder. Faraday Discussions. PMID 29974103 DOI: 10.1039/C8Fd00046H |
0.352 |
|
| 2018 |
Sutherland GA, Grayson KJ, Adams NBP, Mermans DMJ, Jones AS, Robertson AJ, Auman DB, Brindley AA, Sterpone F, Tuffery P, Derreumaux P, Dutton PL, Robinson C, Hitchcock A, Hunter CN. Probing the quality control mechanism of thetwin-arginine translocase with folding variants of a-designed heme protein. The Journal of Biological Chemistry. PMID 29559557 DOI: 10.1074/Jbc.Ra117.000880 |
0.404 |
|
| 2018 |
Sterpone F, Derreumaux P, Melchionna S. Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study. The Journal of Physical Chemistry. B. 122: 1573-1579. PMID 29328657 DOI: 10.1021/Acs.Jpcb.7B10796 |
0.454 |
|
| 2017 |
Stirnemann G, Sterpone F. Mechanics of Protein Adaptation to High Temperatures. The Journal of Physical Chemistry Letters. 8: 5884-5890. PMID 29155591 DOI: 10.1021/Acs.Jpclett.7B02611 |
0.696 |
|
| 2017 |
Katava M, Stirnemann G, Zanatta M, Capaccioli S, Pachetti M, Ngai KL, Sterpone F, Paciaroni A. Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion. Proceedings of the National Academy of Sciences of the United States of America. PMID 28808004 DOI: 10.1073/Pnas.1707357114 |
0.737 |
|
| 2017 |
Rahaman O, Kalimeri M, Katava M, Paciaroni A, Sterpone F. Configurational Disorder of Water Hydrogen Bond Network at the Protein Dynamical Transition. The Journal of Physical Chemistry. B. PMID 28635287 DOI: 10.1021/Acs.Jpcb.7B03888 |
0.503 |
|
| 2017 |
Katava M, Maccarini M, Villain G, Paciaroni A, Sztucki M, Ivanova O, Madern D, Sterpone F. Thermal activation of 'allosteric-like' large-scale motions in a eukaryotic Lactate Dehydrogenase. Scientific Reports. 7: 41092. PMID 28112231 DOI: 10.1038/Srep41092 |
0.436 |
|
| 2016 |
Nguyen PH, Sterpone F, Pouplana R, Derreumaux P, Campanera JM. Dimerization Mechanism of Alzheimer Aβ40 Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation. The Journal of Physical Chemistry. B. 120: 12111-12126. PMID 27933940 DOI: 10.1021/Acs.Jpcb.6B10722 |
0.338 |
|
| 2016 |
Chiricotto M, Sterpone F, Derreumaux P, Melchionna S. Multiscale simulation of molecular processes in cellular environments. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 374. PMID 27698046 DOI: 10.1098/Rsta.2016.0225 |
0.361 |
|
| 2016 |
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F. Hydrodynamic effects on β-amyloid (16-22) peptide aggregation. The Journal of Chemical Physics. 145: 035102. PMID 27448906 DOI: 10.1063/1.4958323 |
0.335 |
|
| 2016 |
Bellissent-Funel MC, Hassanali A, Havenith M, Henchman R, Pohl P, Sterpone F, van der Spoel D, Xu Y, Garcia AE. Water Determines the Structure and Dynamics of Proteins. Chemical Reviews. PMID 27186992 DOI: 10.1021/Acs.Chemrev.5B00664 |
0.578 |
|
| 2016 |
Nguyen PH, Sterpone F, Campanera JM, Nasica-Labouze J, Derreumaux P. Impact of the A2V mutation on the Heterozygous and Homozygous Aβ1-40 Dimer Structures from Atomistic Simulations. Acs Chemical Neuroscience. PMID 27007027 DOI: 10.1021/Acschemneuro.6B00053 |
0.312 |
|
| 2016 |
Katava M, Kalimeri M, Stirnemann G, Sterpone F. Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue. The Journal of Physical Chemistry. B. 120: 2721-30. PMID 26907829 DOI: 10.1021/Acs.Jpcb.6B00306 |
0.684 |
|
| 2016 |
Stirnemann G, Sterpone F. Mechanical Aspects of Protein Thermostability Biophysical Journal. 110: 644a. DOI: 10.1016/J.Bpj.2015.11.3448 |
0.728 |
|
| 2016 |
Sterpone F, Derreumaux P, Melchionna S. Toward Microscopic Simulations of Proteins in Cell-Like Environments Biophysical Journal. 110: 386a. DOI: 10.1016/J.Bpj.2015.11.2085 |
0.399 |
|
| 2016 |
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F. Hydrodynamic Effects on Amyloid-β Aggregation Biophysical Journal. 110: 219a. DOI: 10.1016/J.Bpj.2015.11.1215 |
0.34 |
|
| 2016 |
Katava M, Stirnemann G, Capaccioli S, Paciaroni A, Sterpone F. Probing the Thermal Stability of Lysozyme in Crowded Environments: Tracking Lindemann Criterion Biophysical Journal. 110: 213a. DOI: 10.1016/J.Bpj.2015.11.1183 |
0.722 |
|
| 2016 |
Chiricotto M, Tran TT, Nguyen PH, Melchionna S, Sterpone F, Derreumaux P. Coarse-grained and All-atom Simulations towards the Early and Late Steps of Amyloid Fibril Formation Israel Journal of Chemistry. 57: 564-573. DOI: 10.1002/Ijch.201600048 |
0.311 |
|
| 2015 |
Kalimeri M, Derreumaux P, Sterpone F. Are coarse-grained models apt to detect protein thermal stability? The case of OPEP force field. Journal of Non-Crystalline Solids. 407: 494-501. PMID 28100926 DOI: 10.1016/J.Jnoncrysol.2014.07.005 |
0.481 |
|
| 2015 |
Stirnemann G, Sterpone F. Recovering Protein Thermal Stability Using All-Atom Hamiltonian Replica-Exchange Simulations in Explicit Solvent. Journal of Chemical Theory and Computation. 11: 5573-7. PMID 26642979 DOI: 10.1021/Acs.Jctc.5B00954 |
0.677 |
|
| 2015 |
Sterpone F, Derreumaux P, Melchionna S. Protein Simulations in Fluids: Coupling the OPEP Coarse-Grained Force Field with Hydrodynamics. Journal of Chemical Theory and Computation. 11: 1843-53. PMID 26574390 DOI: 10.1021/Ct501015H |
0.466 |
|
| 2015 |
Chakraborty D, Taly A, Sterpone F. Stay Wet, Stay Stable? How Internal Water Helps the Stability of Thermophilic Proteins. The Journal of Physical Chemistry. B. 119: 12760-70. PMID 26335353 DOI: 10.1021/Acs.Jpcb.5B05791 |
0.516 |
|
| 2015 |
Tarus B, Tran TT, Nasica-Labouze J, Sterpone F, Nguyen PH, Derreumaux P. Structures of the Alzheimer's Wild-Type Aβ1-40 Dimer from Atomistic Simulations. The Journal of Physical Chemistry. B. 119: 10478-87. PMID 26228450 DOI: 10.1021/Acs.Jpcb.5B05593 |
0.321 |
|
| 2015 |
Rahaman O, Kalimeri M, Melchionna S, Hénin J, Sterpone F. Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains. The Journal of Physical Chemistry. B. 119: 8939-49. PMID 25317828 DOI: 10.1021/Jp507571U |
0.504 |
|
| 2014 |
Kalimeri M, Girard E, Madern D, Sterpone F. Interface matters: the stiffness route to stability of a thermophilic tetrameric malate dehydrogenase. Plos One. 9: e113895. PMID 25437494 DOI: 10.1371/Journal.Pone.0113895 |
0.43 |
|
| 2014 |
Sterpone F, Melchionna S, Tuffery P, Pasquali S, Mousseau N, Cragnolini T, Chebaro Y, St-Pierre JF, Kalimeri M, Barducci A, Laurin Y, Tek A, Baaden M, Nguyen PH, Derreumaux P. The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chemical Society Reviews. 43: 4871-93. PMID 24759934 DOI: 10.1039/C4Cs00048J |
0.357 |
|
| 2014 |
Kalimeri M, Melchionna S, Sterpone F. Protein Flexibility and Stability: Thermophiles Know Best Biophysical Journal. 106: 256a-257a. DOI: 10.1016/J.Bpj.2013.11.1507 |
0.453 |
|
| 2013 |
Sterpone F, Nguyen PH, Kalimeri M, Derreumaux P. Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation. Journal of Chemical Theory and Computation. 9: 4574-4584. PMID 25419192 DOI: 10.1021/Ct4003493 |
0.335 |
|
| 2013 |
Kalimeri M, Rahaman O, Melchionna S, Sterpone F. How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domain. The Journal of Physical Chemistry. B. 117: 13775-85. PMID 24087838 DOI: 10.1021/Jp407078Z |
0.467 |
|
| 2013 |
Fogarty AC, Duboué-Dijon E, Sterpone F, Hynes JT, Laage D. Biomolecular hydration dynamics: a jump model perspective. Chemical Society Reviews. 42: 5672-83. PMID 23612685 DOI: 10.1039/C3Cs60091B |
0.792 |
|
| 2013 |
Rahaman O, Melchionna S, Laage D, Sterpone F. The effect of protein composition on hydration dynamics Physical Chemistry Chemical Physics. 15: 3570-3576. PMID 23381660 DOI: 10.1039/C3Cp44582H |
0.749 |
|
| 2012 |
Montagna M, Sterpone F, Guidoni L. Structural and spectroscopic properties of water around small hydrophobic solutes. The Journal of Physical Chemistry. B. 116: 11695-700. PMID 22946539 DOI: 10.1021/Jp303213M |
0.511 |
|
| 2012 |
Sterpone F, Stirnemann G, Laage D. Magnitude and molecular origin of water slowdown next to a protein. Journal of the American Chemical Society. 134: 4116-9. PMID 22335572 DOI: 10.1021/Ja3007897 |
0.814 |
|
| 2012 |
Sterpone F, Melchionna S. Thermophilic proteins: insight and perspective from in silico experiments. Chemical Society Reviews. 41: 1665-76. PMID 21975514 DOI: 10.1039/C1Cs15199A |
0.457 |
|
| 2012 |
Laage D, Stirnemann G, Sterpone F, Hynes JT. Water jump reorientation: from theoretical prediction to experimental observation. Accounts of Chemical Research. 45: 53-62. PMID 21749157 DOI: 10.1021/Ar200075U |
0.793 |
|
| 2011 |
Stirnemann G, Sterpone F, Laage D. Dynamics of water in concentrated solutions of amphiphiles: key roles of local structure and aggregation. The Journal of Physical Chemistry. B. 115: 3254-62. PMID 21384808 DOI: 10.1021/Jp112001D |
0.794 |
|
| 2011 |
Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT. Reorientation and allied dynamics in water and aqueous solutions. Annual Review of Physical Chemistry. 62: 395-416. PMID 21219140 DOI: 10.1146/Annurev.Physchem.012809.103503 |
0.805 |
|
| 2010 |
Sterpone F, Bertonati C, Briganti G, Melchionna S. Water around thermophilic proteins: the role of charged and apolar atoms. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 284113. PMID 21399285 DOI: 10.1088/0953-8984/22/28/284113 |
0.46 |
|
| 2010 |
Bedard-Hearn MJ, Sterpone F, Rossky PJ. Nonadiabatic simulations of exciton dissociation in poly-p-phenylenevinylene oligomers. The Journal of Physical Chemistry. A. 114: 7661-70. PMID 20597491 DOI: 10.1021/Jp103446Z |
0.349 |
|
| 2010 |
Sterpone F, Stirnemann G, Hynes JT, Laage D. Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groups. The Journal of Physical Chemistry. B. 114: 2083-9. PMID 20085364 DOI: 10.1021/Jp9119793 |
0.805 |
|
| 2009 |
Sterpone F, Briganti G, Pierleoni C. Sphere versus cylinder: the effect of packing on the structure of nonionic C12E6 micelles. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 8960-7. PMID 19588924 DOI: 10.1021/La900591E |
0.372 |
|
| 2009 |
Sterpone F, Bedard-Hearn MJ, Rossky PJ. Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked oligophenylenevinylenes. The Journal of Physical Chemistry. A. 113: 3427-30. PMID 19317436 DOI: 10.1021/Jp901229Z |
0.313 |
|
| 2009 |
Sterpone F, Bertonati C, Briganti G, Melchionna S. Key role of proximal water in regulating thermostable proteins. The Journal of Physical Chemistry. B. 113: 131-7. PMID 19072709 DOI: 10.1021/Jp805199C |
0.544 |
|
| 2009 |
Laage D, Stirnemann G, Sterpone F, Hynes JT. Water and hydrogen-bond dynamics in aqueous solutions Optics Infobase Conference Papers. |
0.783 |
|
| 2008 |
Sterpone F, Spanu L, Ferraro L, Sorella S, Guidoni L. Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach. Journal of Chemical Theory and Computation. 4: 1428-34. PMID 26621429 DOI: 10.1021/Ct800121E |
0.351 |
|
| 2008 |
Sterpone F, Briganti G, Melchionna S, Pierleoni C. Pressure-induced core packing and interfacial dehydration in nonionic C12E6 micelle in aqueous solution. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 6067-71. PMID 18494508 DOI: 10.1021/La704065M |
0.306 |
|
| 2008 |
Sterpone F, Rossky PJ. Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase. The Journal of Physical Chemistry. B. 112: 4983-93. PMID 18380505 DOI: 10.1021/Jp711848Q |
0.371 |
|
| 2007 |
Pizzitutti F, Marchi M, Sterpone F, Rossky PJ. How protein surfaces induce anomalous dynamics of hydration water. The Journal of Physical Chemistry. B. 111: 7584-90. PMID 17564431 DOI: 10.1021/Jp0717185 |
0.544 |
|
| 2006 |
Sterpone F, Pierleoni C, Briganti G, Marchi M. Structure and dynamics of hydrogen bonds in the interface of a C12E6 spherical micelle in water solution: a MD study at various temperatures. The Journal of Physical Chemistry. B. 110: 18254-61. PMID 16970443 DOI: 10.1021/Jp0602070 |
0.474 |
|
| 2006 |
Sterpone F, Marchetti G, Pierleoni C, Marchi M. Molecular modeling and simulation of water near model micelles: diffusion, rotational relaxation and structure at the hydration interface. The Journal of Physical Chemistry. B. 110: 11504-10. PMID 16771426 DOI: 10.1021/Jp057282F |
0.493 |
|
| 2005 |
Briganti G, D’Arrigo G, Maccarini M, Pierleoni C, Sterpone F. Hydration and thermodynamic equilibrium of non-ionic surfactant in solution Colloids and Surfaces a: Physicochemical and Engineering Aspects. 261: 93-99. DOI: 10.1016/J.Colsurfa.2004.11.037 |
0.414 |
|
| 2004 |
Sterpone F, Pierleoni C, Briganti G, Marchit M. Molecular dynamics study of temperature dehydration of a C12E6 spherical micelle. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 4311-4. PMID 15969130 DOI: 10.1021/La035964T |
0.526 |
|
| 2004 |
Abel S, Sterpone F, Bandyopadhyay S, Marchi M. Molecular Modeling and Simulations of AOT−Water Reverse Micelles in Isooctane: Structural and Dynamic Properties The Journal of Physical Chemistry B. 108: 19458-19466. DOI: 10.1021/Jp047138E |
0.435 |
|
| 2003 |
Sterpone F, Ceccarelli M, Marchi M. Linear Response and Electron Transfer in Complex Biomolecular Systems and a Reaction Center Protein The Journal of Physical Chemistry B. 107: 11208-11215. DOI: 10.1021/Jp0353587 |
0.344 |
|
| 2002 |
Marchi M, Sterpone F, Ceccarelli M. Water rotational relaxation and diffusion in hydrated lysozyme. Journal of the American Chemical Society. 124: 6787-91. PMID 12047201 DOI: 10.1021/Ja025905M |
0.492 |
|
| 2001 |
Sterpone F, Ceccarelli M, Marchi M. Dynamics of hydration in hen egg white lysozyme. Journal of Molecular Biology. 311: 409-19. PMID 11478869 DOI: 10.1006/Jmbi.2001.4860 |
0.503 |
|
| 2001 |
Sterpone F, Briganti G, Pierleoni C. Molecular Dynamics Study of Spherical Aggregates of Chain Molecules at Different Degrees of Hydrophilicity in Water Solution Langmuir. 17: 5103-5110. DOI: 10.1021/La000750M |
0.485 |
|
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