Atomic Radii for Continuum Electrostatics Calculations Based on Molecular Dynamics Free Energy Simulations-Reference-Cited by-同舟云学术

Atomic Radii for Continuum Electrostatics Calculations Based on Molecular Dynamics Free Energy Simulations

Published:1997-06-01 Issue:26 Volume:101 Page:5239-5248
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Nina Mafalda¹,Beglov Dmitri¹,Roux Benoît¹

Affiliation:

1. Groupe de Recherche en Transport Membranaire (GRTM), Départements de physique et de chimie, Université de Montréal, C.P. 6128, succ. Centre-Ville, Canada H3C 3J7, and CERCA, Centre de Calcul en Recherche Appliquée, 5160, Boul. Decarie, Bureau 400, Montréal, Québec, Canada H3X 2H9

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp970736r

Reference65 articles.

1. Contribution of Hydration to Protein Folding Thermodynamics

2. Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons

3. Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution

4. Continuum model calculations of solvation free energies: accurate evaluation of electrostatic contributions

5. Computational Alchemy

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