| 1 |
Role of Displacing Confined Solvent in the Conformational Equilibrium of beta-Cyclodextrin
He P, Sarkar S, Gallicchio E, Kurtzman T, Wickstrom L
Journal of Physical Chemistry B, 123(40), 8378, 2019 |
| 2 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
Recovering Kinetics from a Simplified Protein Folding Model Using Replica Exchange Simulations: A Kinetic Network and Effective Stochastic Dynamics
Zheng WH, Andrec M, Gallicchio E, Levy RM
Journal of Physical Chemistry B, 113(34), 11702, 2009 |
| 6 |
Simple continuous and discrete models for simulating replica exchange simulations of protein folding
Zheng WH, Andrec M, Gallicchio E, Levy RM
Journal of Physical Chemistry B, 112(19), 6083, 2008 |
| 7 |
Conformational dynamics of substrate in the active site of cytochrome P450BM-3/NPG complex: Insights from NMR order parameters
Ravindranathan KP, Gallicchio E, McDermott AE, Levy RM
Journal of the American Chemical Society, 129(3), 474, 2007 |
| 8 |
Conformational equilibrium of cytochrome P450BM-3 complexed with N-palmitoylglycine: A replica exchange molecular dynamics study
Ravindranathan KP, Gallicchio E, Friesner RA, McDermott AE, Levy RM
Journal of the American Chemical Society, 128(17), 5786, 2006 |
| 9 |
Temperature weighted histogram analysis method, replica exchange, and transition paths
Gallicchio E, Andrec M, Felts AK, Levy RM
Journal of Physical Chemistry B, 109(14), 6722, 2005 |
| 10 |
On the nonpolar hydration free energy of proteins: Surface area and continuum solvent models for the solute-solvent interaction energy
Levy RM, Zhang LY, Gallicchio E, Felts AK
Journal of the American Chemical Society, 125(31), 9523, 2003 |
