Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference53 articles.
1. Generalized Born Models of Macromolecular Solvation Effects
2. Recent advances in the development and application of implicit solvent models in biomolecule simulations
3. Evaluation of a fast implicit solvent model for molecular dynamics simulations
4. Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation
5. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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