| Nuclear quantum effects in water JA Morrone, R Car Physical review letters 101 (1), 017801, 2008 | 503 | 2008 |
| Advances in free-energy-based simulations of protein folding and ligand binding A Perez, JA Morrone, C Simmerling, KA Dill Current opinion in structural biology 36, 25-31, 2016 | 157 | 2016 |
| Ab initio molecular dynamics study of proton mobility in liquid methanol JA Morrone, ME Tuckerman The Journal of chemical physics 117 (9), 4403-4413, 2002 | 154 | 2002 |
| Quantum fluctuations can promote or inhibit glass formation TE Markland, JA Morrone, BJ Berne, K Miyazaki, E Rabani, DR Reichman Nature Physics 7 (2), 134-137, 2011 | 117 | 2011 |
| Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol− water solutions JA Morrone, KE Haslinger, ME Tuckerman The Journal of Physical Chemistry B 110 (8), 3712-3720, 2006 | 115 | 2006 |
| Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space JA Morrone, L Lin, R Car The Journal of chemical physics 130 (20), 2009 | 91 | 2009 |
| Proton momentum distribution in water: an open path integral molecular dynamics study JA Morrone, V Srinivasan, D Sebastiani, R Car The Journal of chemical physics 126 (23), 2007 | 90 | 2007 |
| Combining docking pose rank and structure with deep learning improves protein–ligand binding mode prediction over a baseline docking approach JA Morrone, JK Weber, T Huynh, H Luo, WD Cornell Journal of chemical information and modeling 60 (9), 4170-4179, 2020 | 85 | 2020 |
| Role of water and steric constraints in the kinetics of cavity–ligand unbinding P Tiwary, J Mondal, JA Morrone, BJ Berne Proceedings of the National Academy of Sciences 112 (39), 12015-12019, 2015 | 85 | 2015 |
| Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances JA Morrone, TE Markland, M Ceriotti, BJ Berne The Journal of chemical physics 134 (1), 2011 | 74 | 2011 |
| Displaced path integral formulation for the momentum distribution of quantum particles L Lin, JA Morrone, R Car, M Parrinello Physical review letters 105 (11), 110602, 2010 | 74 | 2010 |
| Computed binding of peptides to proteins with MELD-accelerated molecular dynamics JA Morrone, A Perez, J MacCallum, KA Dill Journal of chemical theory and computation 13 (2), 870-876, 2017 | 66 | 2017 |
| Blind protein structure prediction using accelerated free-energy simulations A Perez, JA Morrone, E Brini, JL MacCallum, KA Dill Science advances 2 (11), e1601274, 2016 | 65 | 2016 |
| Interplay between hydrodynamics and the free energy surface in the assembly of nanoscale hydrophobes JA Morrone, J Li, BJ Berne The Journal of Physical Chemistry B 116, 378, 2012 | 60 | 2012 |
| Correlated tunneling in hydrogen bonds L Lin, JA Morrone, R Car Journal of Statistical Physics 145, 365-384, 2011 | 58 | 2011 |
| How hydrophobic drying forces impact the kinetics of molecular recognition J Mondal, JA Morrone, BJ Berne Proceedings of the National Academy of Sciences 110 (33), 13277-13282, 2013 | 51 | 2013 |
| Molecular dynamics with multiple time scales: how to avoid pitfalls JA Morrone, R Zhou, BJ Berne Journal of chemical theory and computation 6 (6), 1798-1804, 2010 | 51 | 2010 |
| Structure and dynamics of acetonitrile confined in a silica nanopore L Cheng, JA Morrone, BJ Berne The Journal of Physical Chemistry C 116 (17), 9582-9593, 2012 | 50 | 2012 |
| Molecular simulations identify binding poses and approximate affinities of stapled α-helical peptides to MDM2 and MDMX JA Morrone, A Perez, Q Deng, SN Ha, MK Holloway, TK Sawyer, ... Journal of chemical theory and computation 13 (2), 863-869, 2017 | 45 | 2017 |
| Momentum distribution, vibrational dynamics, and the potential of mean force in ice L Lin, JA Morrone, R Car, M Parrinello Physical Review B—Condensed Matter and Materials Physics 83 (22), 220302, 2011 | 44 | 2011 |
B. J. Berne or Bruce J Berne or Bruce...Higgins Professor of Chemistry在 columbia.edu 的电子邮件经过验证
