Analysis of Coupling Schemes in Free Energy Simulations: A Unified Description of Nonbonded Contributions to Solvation Free Energies-Reference-Cited by-同舟云学术

Analysis of Coupling Schemes in Free Energy Simulations: A Unified Description of Nonbonded Contributions to Solvation Free Energies

Published:1996-01-01 Issue:26 Volume:100 Page:11148-11164
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Dejaegere A.¹,Karplus M.¹

Affiliation:

1. Department of Chemistry, 12 Oxford Street, Harvard University, Cambridge, Massachusetts 02138, UPR 9003 Cancérogenèse, ESBS Boulevard S. Brant, 67400 Illkirch, France, and Laboratoire de Chimie Biophysique, Institut Le Bel, Université L. Pasteur, Rue Blaise Pascal, 67000 Strasbourg, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp952332%2B

Reference102 articles.

1. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems

2. Computational Alchemy

3. Free energy calculations: Applications to chemical and biochemical phenomena

4. Free energy simulations: The meaning of the individual contributions from a component analysis

5. Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids

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