Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water
Author:
Affiliation:
1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States
2. SilcsBio LLC, 8 Market Place, Suite 300, Baltimore, Maryland 21202, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00604
Reference42 articles.
1. Evaluating Force Fields for the Computational Prediction of Ionized Arginine and Lysine Side-Chains Partitioning into Lipid Bilayers and Octanol
2. Volumen und Hydratationswärme der Ionen
3. Molecular basis for the Born model of ion solvation
4. On the Validity of Electrostatic Linear Response in Polar Solvents
5. Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field
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