New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model-Reference-Cited by-同舟云学术

New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model

Published:2001-09-21 Issue:42 Volume:105 Page:10388-10397
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Zhou Ruhong¹,Friesner Richard A.¹,Ghosh Avijit¹,Rizzo Robert C.¹,Jorgensen William L.¹,Levy R. M.¹

Affiliation:

1. IBM Thomas J. Watson Research Center, Route 134 and PO Box 218, Yorktown Heights, New York 10598, Department of Chemistry and Center for Biomolecular Simulation, Columbia University, New York, New York 10027, Department of Chemistry, Yale University, New Haven, Connecticut 06520, and Department of Chemistry, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854

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/jp011480z

Reference47 articles.

1. A method for fast energy estimation and visualization of protein-ligand interaction

2. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

3. A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design

4. Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity

5. Free energy calculations: Applications to chemical and biochemical phenomena

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