Reducing the Secondary Structure Bias in the Generalized Born Model via R6 Effective Radii
- 24 November 2010
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
- Vol. 6 (12), 3613-3630
- https://doi.org/10.1021/ct100392h
Abstract
No abstract availableKeywords
This publication has 63 references indexed in Scilit:
- The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface areaJournal of Computational Chemistry, 2008
- Analysis of integral expressions for effective Born radiiThe Journal of Chemical Physics, 2007
- Generalized Born Model with a Simple, Robust Molecular Volume CorrectionJournal of Chemical Theory and Computation, 2006
- Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulationsJournal of Computational Chemistry, 2006
- Effective Born radii in the generalized Born approximation: The importance of being perfectJournal of Computational Chemistry, 2002
- Introducing an Implicit Membrane in Generalized Born/Solvent Accessibility Continuum Solvent ModelsThe Journal of Physical Chemistry B, 2002
- Electrostatics of nanosystems: Application to microtubules and the ribosomeProceedings of the National Academy of Sciences of the United States of America, 2001
- Generalized Born Model Based on a Surface Integral FormulationThe Journal of Physical Chemistry B, 1998
- Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics programComputer Physics Communications, 1995
- The interpretation of protein structures: Estimation of static accessibilityJournal of Molecular Biology, 1971