A method to apply bond‐angle constraints in molecular dynamics simulations-Reference-Cited by-同舟云学术

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A method to apply bond‐angle constraints in molecular dynamics simulations

Published:2020-12-22 Issue:6 Volume:42 Page:418-434
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Pechlaner Maria¹^ORCID,Dorta Andreas P.¹,Lin Zhixiong¹²,Rusu Victor H.¹³,Gunsteren Wilfred F.¹

Affiliation:

1. Laboratory of Physical Chemistry Swiss Federal Institute of Technology, ETH Zurich Switzerland

2. XtalPi Inc. (Shenzhen Jingtai Technology Co., Ltd.) Shenzhen China

3. CSCS Swiss National Supercomputing Centre, Via Trevano 131, 6900 Lugano Switzerland

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26466

Reference57 articles.

1. Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

2. Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules

3. Algorithms for macromolecular dynamics and constraint dynamics

4. Effect of constraints, solvent and crystal environment on protein dynamics

5. Effect of constraints on the dynamics of macromolecules

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