Estimating kinetic rates from accelerated molecular dynamics simulations: Alanine dipeptide in explicit solvent as a case study
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2794763
Reference49 articles.
1. Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
2. The Internal Dynamics of Globular Protein
3. Internal dynamics of proteins. Short time and long time motions of aromatic sidechains in PTI
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