Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model
Author:
Funder
National Institutes of Health
University of California, San Francisco
National Science Foundation
Publisher
Elsevier BV
Subject
Molecular Biology,Structural Biology
Reference40 articles.
1. Computational methods to predict binding free energy in ligand-receptor complexes;Ajay;J. Med. Chem,1995
2. Trans-dominant inhibitory human immunodeficiency virus type I protease monomers prevent protease activation and virion maturation;Babé;Proc. Natl Acad. Sci. USA,1995
3. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges - the RESP model;Bayly;J. Phys. Chem,1993
4. Free energy via molecular simulations;Beveridge;Annu. Rev. Biophys. Biophys. Chem,1989
5. Normal mode analysis of protein dynamics;Case;Curr Opin. Struct. Biol,1994
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