Fully Integrated Effective Fragment Molecular Orbital Method-Reference-Cited by-同舟云学术

Fully Integrated Effective Fragment Molecular Orbital Method

Published:2013-04-12 Issue:5 Volume:9 Page:2235-2249
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pruitt Spencer R.¹,Steinmann Casper²,Jensen Jan H.²,Gordon Mark S.¹

Affiliation:

1. Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States

2. Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4001119

Reference67 articles.

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2. Calculation of Protein−Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects

3. Absorption Spectra of Estradiol and Tryptophan Constructed by the Statistical and Elongation Methods

4. X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water

5. Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding Charges

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