Mapping potential energy surfaces
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1765651
Reference17 articles.
1. The Application of the Theory of Absolute Reacton Rates to Proteins.
2. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
3. Predicting slow structural transitions in macromolecular systems: Conformational flooding
4. A method for accelerating the molecular dynamics simulation of infrequent events
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1. Protein Structure Validation Derives a Smart Conformational Search in a Physically Relevant Configurational Subspace;Journal of Chemical Information and Modeling;2022-11-30
2. Structural Validation by the G-Factor Properly Regulates Boost Potentials Imposed in Conformational Sampling of Proteins;Journal of Chemical Information and Modeling;2022-07-05
3. Reaction Path Following with Sparse Interpolation;Journal of Chemical Theory and Computation;2014-07-11
4. Well-Tempered Metadynamics as a Tool for Characterizing Multi-Component, Crystalline Molecular Machines;The Journal of Physical Chemistry B;2013-10-01
5. Computer-Aided Design of the Reaction Site in Heterogeneous Catalysis;Encyclopedia of Complexity and Systems Science;2013
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