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Poisson−Boltzmann Analytical Gradients for Molecular Modeling Calculations

Published:1999-04-01 Issue:16 Volume:103 Page:3057-3061
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Friedrichs Mark,Zhou Ruhong,Edinger Shlomit R.,Friesner Richard A.

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp982513m

Reference13 articles.

1. Classical Electrostatics in Biology and Chemistry

2. Conformational sampling with Poisson-Boltzmann forces and a stochastic dynamics/Monte Carlo method: Application to alanine dipeptide

3. Computation of electrostatic forces on solvated molecules using the Poisson-Boltzmann equation

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