An efficient hybrid explicit/implicit solvent method for biomolecular simulations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference56 articles.
1. ; Computer Simulation of Liquids; Oxford University Press: New York, 1987.
2. A surface constrained all‐atom solvent model for effective simulations of polar solutions
3. Semianalytical treatment of solvation for molecular mechanics and dynamics
4. Comparative Study of the Folding Free Energy Landscape of a Three-Stranded β-Sheet Protein with Explicit and Implicit Solvent Models
5. Protein molecular dynamics with the generalized born/ACE solvent model
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