[gmx-users] determining the unbinding path
abhisek.mndl at gmail.com
Fri Dec 15 11:30:10 CET 2017
For performing Umbrella Sampling Simulation of protein ligand system
how should one device the proper unbinding path, as in case of biological
systems unbinding paths can be various ?
Few words regarding this issue would be highly appreciated.
Please suggest few references (regarding choosing such unbinding path)
for elaborate understanding.
*Senior Research Fellow*
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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