Benchmarking polarizable and non-polarizable force fields for Ca2+–peptides against a comprehensive QM dataset-Reference-Cited by-同舟云学术

Benchmarking polarizable and non-polarizable force fields for Ca2+–peptides against a comprehensive QM dataset

Published:2020-10-14 Issue:14 Volume:153 Page:144102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Amin Kazi S.¹,Hu Xiaojuan²^ORCID,Salahub Dennis R.³^ORCID,Baldauf Carsten²^ORCID,Lim Carmay⁴⁵^ORCID,Noskov Sergei¹^ORCID

Affiliation:

1. CMS – Centre for Molecular Simulation and Department of Biological Sciences, University of Calgary, 2500 University Drive NW, Calgary, Alberta T2N 1N4, Canada

2. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany

3. Department of Chemistry, CMS – Centre for Molecular Simulation, IQST – Institute for Quantum Science and Technology, Quantum Alberta, University of Calgary, 2500 University Drive NW, Calgary, Alberta T2N 1N4, Canada

4. Institute of Biomedical Sciences, Academia Sinica, Taipei 115, Taiwan

5. Department of Chemistry, National Tsing Hua University, Hsinchu 300, Taiwan

Funder

Ministry of Science and Technology, Taiwan

Natural Sciences and Engineering Research Council of Canada

Academia Sinica

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0020768