Comparison of Three Perturbation Molecular Dynamics Methods for Modeling Conformational Transitions-Reference-Cited by-同舟云学术

Comparison of Three Perturbation Molecular Dynamics Methods for Modeling Conformational Transitions

Published:2009-04-09 Issue:5 Volume:5 Page:1304-1314
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Huang He¹,Ozkirimli Elif¹,Post Carol Beth¹

Affiliation:

1. Department of Medicinal Chemistry and Molecular Pharmacology, Markey Center for Structural Biology and Purdue Cancer Center, Purdue University, West Lafayette, Indiana 47907, and Department of Chemical Engineering, Bogazici University, Bebek, 34342, Turkey

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct9000153

Reference51 articles.

1. Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T ↔ R Transition in Insulin

2. Targeted molecular dynamics: A new approach for searching pathways of conformational transitions

3. Ligand Binding: Molecular Mechanics Calculation of the Streptavidin-Biotin Rupture Force

4. SMD: visual steering of molecular dynamics for protein design

5. Adiabatic bias molecular dynamics: A method to navigate the conformational space of complex molecular systems

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