The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based Methods-Reference-Cited by-同舟云学术

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The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based Methods

Published:2014-08-21 Issue:9 Volume:47 Page:2846-2856
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Fedorov Dmitri G.¹,Asada Naoya²,Nakanishi Isao³,Kitaura Kazuo⁴

Affiliation:

1. NRI, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, Umezono 1-1-1, Tsukuba, 305-8568, Japan

2. Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan

3. Department of Pharmaceutical Sciences, Kinki University, 3-4-1, Kowakae, Higashi-Osaka, Osaka 577-8502, Japan

4. Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan

Funder

Ministry of Education, Culture, Sports, Science, and Technology

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar500224r

Reference127 articles.

1. On the Convergence of QM/MM Energies

2. Quantum dots embedded into silicon nanowires effectively partition electron confinement

3. Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics

4. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

5. IMOMM: A new integratedab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

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