Hydration Thermodynamic Properties of Amino Acid Analogues: A Systematic Comparison of Biomolecular Force Fields and Water Models
Author:
Affiliation:
1. Max-Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany
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/jp0641029
Reference50 articles.
1. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
2. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
3. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
4. All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data
5. A Kirkwood–Buff derived force field for sodium chloride in water
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