Including Side Chain Flexibility in Continuum Electrostatic Calculations of Protein Titration
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (51) , 20156-20163
- https://doi.org/10.1021/jp9623709
Abstract
No abstract availableKeywords
This publication has 38 references indexed in Scilit:
- The interpretation of protein structures: Estimation of static accessibilityPublished by Elsevier ,2004
- AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of moleculesComputer Physics Communications, 1995
- Prediction of Ph-dependent Properties of ProteinsJournal of Molecular Biology, 1994
- Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSAJournal of Molecular Biology, 1991
- X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 Å resolutionJournal of Molecular Biology, 1986
- The crystal structure of human deoxyhaemoglobin at 1.74 Å resolutionJournal of Molecular Biology, 1984
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982
- The protein data bank: A computer-based archival file for macromolecular structuresJournal of Molecular Biology, 1977
- Theory of Protein Titration Curves. I. General Equations for Impenetrable SpheresJournal of the American Chemical Society, 1957