Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers-Reference-Cited by-同舟云学术

Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

Published:2007-03-06 Issue:3 Volume:3 Page:1120-1133
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Vorobyov Igor¹,Anisimov Victor M.¹,Greene Shannon¹,Venable Richard M.¹,Moser Adam¹,Pastor Richard W.¹,MacKerell Alexander D.¹

Affiliation:

1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, and Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct600350s

Reference91 articles.

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2. SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters

3. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

4. Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds

5. Alcohols, Ethers, Carbohydrates, and Related Compounds Part V.2 The Bohlmann Torsional Effect

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