Author of the publication

Computations of Standard Binding Free Energies with Molecular Dynamics Simulations

, and . Journal of Physical Chemistry B, 113 (8): 2234-2246 (2009)PMID: 19146384.
DOI: 10.1021/jp807701h

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model., , , and . J. Comput. Chem., 39 (22): 1707-1719 (2018)CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations., , , , , , and . J. Comput. Chem., 41 (5): 415-420 (2020)Characterization of conformational equilibria through Hamiltonian and temperature replica-exchange simulations: Assessing entropic and environmental effects., and . J. Comput. Chem., 28 (10): 1634-1647 (2007)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). J. Comput. Chem., 30 (10): 1545-1614 (2009)Exploring the Conformational Transitions of Biomolecular Systems Using a Simple Two-State Anisotropic Network Model., , , , , and . PLoS Comput. Biol., (2014)Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments., , , , , and . PLoS Comput. Biol., (2015)Escherichia coli Peptidoglycan Structure and Mechanics as Predicted by Atomic-Scale Simulations., , , and . PLoS Comput. Biol., (2014)Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics., , , and . Journal of Chemical Information and Computer Sciences, 37 (6): 1018-1024 (1997)Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?, , and . Journal of Chemical Theory and Computation, 9 (1): 794-802 (2013)PMID: 23794960.Computations of Standard Binding Free Energies with Molecular Dynamics Simulations, and . Journal of Physical Chemistry B, 113 (8): 2234-2246 (2009)PMID: 19146384.