Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model
- 1 November 2000
- journal article
- Published by Elsevier BV in Journal of Molecular Biology
- Vol. 303 (4), 567-582
- https://doi.org/10.1006/jmbi.2000.4057
Abstract
No abstract availableKeywords
Funding Information
- National Institutes of Health
- University of California, San Francisco (RR-1081)
- National Science Foundation
This publication has 42 references indexed in Scilit:
- Computational Methods to Predict Binding Free Energy in Ligand-Receptor ComplexesJournal of Medicinal Chemistry, 1995
- Trans-dominant inhibitory human immunodeficiency virus type 1 protease monomers prevent protease activation and virion maturation.Proceedings of the National Academy of Sciences of the United States of America, 1995
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesJournal of the American Chemical Society, 1995
- Flap opening in HIV-1 protease simulated by ‘activated’ molecular dynamicsNature Structural & Molecular Biology, 1995
- Normal mode analysis of protein dynamicsCurrent Opinion in Structural Biology, 1994
- A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP modelThe Journal of Physical Chemistry, 1993
- Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systemsThe Journal of Chemical Physics, 1993
- Stability and activity of human immunodeficiency virus protease: comparison of the natural dimer with a homologous, single-chain tethered dimer.Proceedings of the National Academy of Sciences of the United States of America, 1990
- Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular SystemsAnnual Review of Biophysics and Biophysical Chemistry, 1989
- Human immunodeficiency virus protease expressed in Escherichia coli exhibits autoprocessing and specific maturation of the gag precursor.Proceedings of the National Academy of Sciences of the United States of America, 1987