Calculation of conformational transitions and barriers in solvated systems: Application to the alanine dipeptide in water
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.477819
Reference27 articles.
1. Simulation of activation free energies in molecular systems
2. Conjugate peak refinement: an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
3. A Comprehensive Analytical Treatment of Continuum Electrostatics
4. Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T ↔ R Transition in Insulin
5. Calculation of pathways for the conformational transition between the GTP- and GDP-bound states of the Ha-ras-p21 protein: Calculations with explicit solvent simulations and comparison with calculations in vacuum
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