A new method to calculate reaction paths for conformation transitions of large molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference54 articles.
1. The Activated Complex in Chemical Reactions
2. Some applications of the transition state method to the calculation of reaction velocities, especially in solution
3. Calculation of the potential of mean force using molecular dynamics with linear constraints: An application to a conformational transition in a solvated dipeptide
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