Using operators to expand the block matrices forming the Hessian of a molecular potential-Reference-Cited by-同舟云学术

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Using operators to expand the block matrices forming the Hessian of a molecular potential

Published:2014-04-16 Issue:15 Volume:35 Page:1149-1158
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Carlsen Martin¹

Affiliation:

1. Department of Applied Mathematics and Computer Science; Technical University of Denmark; Building 303B DK-2800 Kongens Lyngby Denmark

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23609/fullpdf

Reference26 articles.

1. Geometry optimization

2. Dynamics of a small globular protein in terms of low-frequency vibrational modes.

3. Refinement of protein structure homology models via long, all-atom molecular dynamics simulations

4. Structure and Dynamics of an Unfolded Protein Examined by Molecular Dynamics Simulation

5. Internal-to-Cartesian back transformation of molecular geometry steps using high-order geometric derivatives

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Free energy calculations by molecular simulations of deformed polymer glasses;Computer Physics Communications;2020-04

2. Protein structure refinement by optimization;Proteins: Structure, Function, and Bioinformatics;2015-07-21

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