Calculating Position-Dependent Diffusivity in Biased Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Calculating Position-Dependent Diffusivity in Biased Molecular Dynamics Simulations

Published:2013-01-18 Issue:2 Volume:9 Page:876-882
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Comer Jeffrey¹²,Chipot Christophe³⁴,González-Nilo Fernando D.¹²⁵

Affiliation:

1. Fraunhofer Chile Research, Mariano Sánchez Fontecilla 310 piso 14, Las Condes, Santiago, Chile

2. Universidad Andres Bello, Center for Bioinformatics and Integrative Biology, Facultad de Ciencias Biológicas, Av. República 239, Santiago, Chile

3. Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana−Champaign, 405 North Mathews, Urbana, Illinois 61801, United States

4. Équipe de dynamique des assemblages membranaires, UMR 7565, Université de Lorraine, BP 239, 54506 Vandœuvre-lès-Nancy cedex, France

5. Centro Interdisciplinario de Neurociencia de Valparaíso, Universidad de Valparaíso, Valparaíso, Chile

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300867e

Reference39 articles.

1. Brownian motion in a field of force and the diffusion model of chemical reactions

2. From classical dynamics to continuous time random walks

3. Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations

4. Calculating free-energy profiles in biomolecular systems from fast nonequilibrium processes

5. Free Energy Calculations

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