The Role of Bonded Terms in Free Energy Simulations. 2. Calculation of Their Influence on Free Energy Differences of Solvation-Reference-Cited by-同舟云学术

The Role of Bonded Terms in Free Energy Simulations. 2. Calculation of Their Influence on Free Energy Differences of Solvation

Published:1998-12-12 Issue:1 Volume:103 Page:119-136
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Boresch Stefan¹,Karplus Martin¹

Affiliation:

1. Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138, Laboratoire de Chimie Biophysique, Institut Le Bel, Université Louis Pasteur, 67000 Strasbourg, France, and Institut für Theoretische Chemie, University of Vienna, Währingerstrasse 17, A-1090 Vienna, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp981629f

Reference58 articles.

1. On the Prevalence of Room-Temperature Protein Phosphorescence

2. Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

3. Free Energy Perturbations in Ribonuclease T1Substrate Binding. A Study of the Influence of Simulation Length, Internal Degrees of Freedom and Structure in Free Energy Perturbations

4. Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase.

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