Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins-Reference-Cited by-同舟云学术

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Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

Published:2013-08-14 Issue:9 Volume:9 Page:4046-4063
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shi Yue¹,Xia Zhen¹,Zhang Jiajing¹,Best Robert²,Wu Chuanjie³,Ponder Jay W.³,Ren Pengyu¹

Affiliation:

1. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

2. Laboratory of Chemical Physics, NIDDK, National Institute of Health, Bethesda, Maryland 20892, United States

3. Department of Chemistry, Washington University, St. Louis, Missouri 63130, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4003702

Reference139 articles.

1. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

2. Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules

3. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

4. Validation of the GROMOS 54A7 Force Field Regarding Mixedα/β-Peptide Molecules

5. Molecular mechanics. The MM3 force field for hydrocarbons. 1

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4. A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins;Journal of Chemical Theory and Computation;2024-08-01

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