Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches-Reference-Cited by-同舟云学术

Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches

Published:2014-03-11 Issue:4 Volume:10 Page:1563-1575
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Li Amanda¹²,Muddana Hari S.¹,Gilson Michael K.¹

Affiliation:

1. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093-0736, United States

2. Department of Bioengineering, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093-0419, United States

Funder

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct401111c

Reference62 articles.

1. Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions

2. osprey

3. Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane andn‐Alkane Molecules

4. Refinement of protein conformations using a macromolecular energy minimization procedure

5. Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals

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