Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations-Reference-Cited by-同舟云学术

Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations

Published:1997-11-01 Issue:46 Volume:101 Page:9663-9669
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Essex Jonathan W.¹,Severance Daniel L.¹,Tirado-Rives Julian¹,Jorgensen William L.¹

Affiliation:

1. Department of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K., Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94303, and Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107

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/jp971990m

Reference33 articles.

1. Dynamics and design of enzymes and inhibitors

2. Fundamentals of drug design from a biophysical viewpoint

3. On the interpretation of biochemical data by molecular dynamics computer simulation

4. Monte Carlo vs Molecular Dynamics for Conformational Sampling

5. The computer simulation of polar liquids

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