Noé, Frank

Kinetic distance and kinetic maps from molecular dynamics simulation. [electronic resource] - Journal of chemical theory and computation Oct 2015 - 5002-11 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.

1549-9626

10.1021/acs.jctc.5b00553 doi


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Molecular Dynamics Simulation
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Structure-Activity Relationship
Trypsin--chemistry
Trypsin Inhibitors--chemistry