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Ligand Selectivity Mechanism and Conformational Changes in Guanine Riboswitch by Molecular Dynamics Simulations and Free Energy Calculations.
Guodong Hu
Aijing Ma
Jihua Wang
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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free energy
belief propagation
molecular dynamics simulations
upper bound
fixed point
competitive learning
molecular dynamics
approximate inference
graphical models
stereo matching
high throughput
energy minimization
posterior distribution
protein folding