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Joseph A. Morrone, Ph.D. - Publications

Affiliations: 
2008 Princeton University, Princeton, NJ 
Area:
atomistic and the electronic structure and dynamics in materials
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24 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
2017 Perez A, Morrone JA, Dill KA. Accelerating physical simulations of proteins by leveraging external knowledge. Wiley Interdisciplinary Reviews. Computational Molecular Science. 7. PMID 28959358 DOI: 10.1002/Wcms.1309  0.367
2017 Morrone JA, Perez A, Deng Q, Ha SN, Holloway MK, Sawyer TK, Sherborne BS, Brown FK, Dill KA. Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX. Journal of Chemical Theory and Computation. PMID 28042965 DOI: 10.1021/Acs.Jctc.6B00978  0.313
2016 Perez A, Morrone JA, Brini E, MacCallum JL, Dill KA. Blind protein structure prediction using accelerated free-energy simulations. Science Advances. 2: e1601274. PMID 27847872 DOI: 10.1126/Sciadv.1601274  0.331
2016 Perez A, Morrone JA, Simmerling C, Dill KA. Advances in free-energy-based simulations of protein folding and ligand binding. Current Opinion in Structural Biology. 36: 25-31. PMID 26773233 DOI: 10.1016/J.Sbi.2015.12.002  0.367
2015 Tiwary P, Mondal J, Morrone JA, Berne BJ. Role of water and steric constraints in the kinetics of cavity-ligand unbinding. Proceedings of the National Academy of Sciences of the United States of America. PMID 26371312 DOI: 10.1073/Pnas.1516652112  0.377
2013 Mondal J, Morrone JA, Berne BJ. How hydrophobic drying forces impact the kinetics of molecular recognition. Proceedings of the National Academy of Sciences of the United States of America. 110: 13277-82. PMID 23901110 DOI: 10.1073/Pnas.1312529110  0.381
2012 Li J, Morrone JA, Berne BJ. Are hydrodynamic interactions important in the kinetics of hydrophobic collapse? The Journal of Physical Chemistry. B. 116: 11537-44. PMID 22931395 DOI: 10.1021/Jp307466R  0.441
2012 Markland TE, Morrone JA, Miyazaki K, Berne BJ, Reichman DR, Rabani E. Theory and simulations of quantum glass forming liquids. The Journal of Chemical Physics. 136: 074511. PMID 22360252 DOI: 10.1063/1.3684881  0.378
2012 Morrone JA, Li J, Berne BJ. Interplay between hydrodynamics and the free energy surface in the assembly of nanoscale hydrophobes. The Journal of Physical Chemistry. B. 116: 378-89. PMID 22142269 DOI: 10.1021/Jp209568N  0.393
2012 Cheng L, Morrone JA, Berne BJ. Structure and dynamics of acetonitrile confined in a silica nanopore Journal of Physical Chemistry C. 116: 9582-9593. DOI: 10.1021/Jp301007K  0.449
2011 Morrone JA, Markland TE, Ceriotti M, Berne BJ. Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances. The Journal of Chemical Physics. 134: 014103. PMID 21218993 DOI: 10.1063/1.3518369  0.338
2011 Lin L, Morrone JA, Car R, Parrinello M. Momentum distribution, vibrational dynamics, and the potential of mean force in ice Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.220302  0.577
2011 Markland TE, Morrone JA, Berne BJ, Miyazaki K, Rabani E, Reichman DR. Quantum fluctuations can promote or inhibit glass formation Nature Physics. 7: 134-137. DOI: 10.1038/Nphys1865  0.334
2011 Lin L, Morrone JA, Car R. Correlated Tunneling in Hydrogen Bonds Journal of Statistical Physics. 145: 365-384. DOI: 10.1007/S10955-011-0320-X  0.521
2010 Morrone JA, Zhou R, Berne BJ. Molecular Dynamics with Multiple Time Scales: How to Avoid Pitfalls. Journal of Chemical Theory and Computation. 6: 1798-804. PMID 26615840 DOI: 10.1021/Ct100054K  0.374
2010 Lin L, Morrone JA, Car R, Parrinello M. Displaced path integral formulation for the momentum distribution of quantum particles. Physical Review Letters. 105: 110602. PMID 20867559 DOI: 10.1103/Physrevlett.105.110602  0.579
2009 Morrone JA, Lin L, Car R. Tunneling and delocalization effects in hydrogen bonded systems: a study in position and momentum space. The Journal of Chemical Physics. 130: 204511. PMID 19485461 DOI: 10.1063/1.3142828  0.575
2008 Morrone JA, Car R. Nuclear quantum effects in water. Physical Review Letters. 101: 017801. PMID 18764152 DOI: 10.1103/Physrevlett.101.017801  0.59
2007 Morrone JA, Srinivasan V, Sebastiani D, Car R. Proton momentum distribution in water: an open path integral molecular dynamics study. The Journal of Chemical Physics. 126: 234504. PMID 17600422 DOI: 10.1063/1.2745291  0.611
2006 Morrone JA, Haslinger KE, Tuckerman ME. Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutions. The Journal of Physical Chemistry. B. 110: 3712-20. PMID 16494428 DOI: 10.1021/Jp0554036  0.413
2006 Morrone JA, Haslinger KE, Tuckerman ME. Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutions Journal of Physical Chemistry B. 110: 3712-3720. DOI: 10.1021/jp0554036  0.323
2004 Mináry P, Morrone JA, Yarne DA, Tuckerman ME, Martyna GJ. Long range interactions on wires: a reciprocal space based formalism. The Journal of Chemical Physics. 121: 11949-56. PMID 15634157 DOI: 10.1063/1.1806403  0.334
2003 Morrone JA, Tuckerman ME. A simple quantum mechanical/molecular mechanical (QM/MM) model for methanol Chemical Physics Letters. 370: 406-411. DOI: 10.1016/S0009-2614(03)00111-8  0.365
2002 Morrone JA, Tuckerman ME. Ab initio molecular dynamics study of proton mobility in liquid methanol Journal of Chemical Physics. 117: 4403-4413. DOI: 10.1063/1.1496457  0.417
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