| 1 |
Cavity Particle in Aqueous Solution with a Hydrophobic Solute: Structure, Energetics, and Functionals
Zhang BW, Matubayasi N, Levy RM
Journal of Physical Chemistry B, 124(25), 5220, 2020 |
| 2 |
Solvation Thermodynamics from the Perspective of Endpoints DFT
Levy RM, Matubayasi N, Zhang B
Journal of Physical Chemistry B, 124(52), 11771, 2020 |
| 3 |
The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations
Zhang BW, Cui D, Matubayasi N, Levy RM
Journal of Physical Chemistry B, 122(17), 4700, 2018 |
| 4 |
Relationship between Solvation Thermodynamics from IST and DFT Perspectives
Levy RM, Cui D, Zhang BW, Matubayasi N
Journal of Physical Chemistry B, 121(15), 3825, 2017 |
| 5 |
Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit
Zhang BW, Dai W, Gallicchio E, He P, Xia JC, Tan ZQ, Levy RM
Journal of Physical Chemistry B, 120(33), 8289, 2016 |
| 6 |
Molecular Dynamics of the Proline Switch and Its Role in Crk Signaling
Xia JC, Levy RM
Journal of Physical Chemistry B, 118(17), 4535, 2014 |
| 7 |
NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model-Free Framework and Markov State Simulations
Xia JC, Deng NJ, Levy RM
Journal of Physical Chemistry B, 117(22), 6625, 2013 |
| 8 |
How Kinetics within the Unfolded State Affects Protein Folding: An Analysis Based on Markov State Models and an Ultra-Long MD Trajectory
Deng NJ, Dai W, Levy RM
Journal of Physical Chemistry B, 117(42), 12787, 2013 |
| 9 |
Kinetic Network Study of the Diversity and Temperature Dependence of Trp-Cage Folding Pathways: Combining Transition Path Theory with Stochastic Simulations
Zheng WH, Gallicchio E, Deng NJ, Andrec M, Levy RM
Journal of Physical Chemistry B, 115(6), 1512, 2011 |
| 10 |
Insights into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed from Atomistic Simulations
Deng NJ, Zheng WH, Gallicchio E, Levy RM
Journal of the American Chemical Society, 133(24), 9387, 2011 |
