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  • PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model
Title: PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model
Award ID(s):
2218156
PAR ID:
10488724
Author(s) / Creator(s):
 ;  ;  ;  ;  
Publisher / Repository:
American Chemical Society
Date Published:
Journal Name:
Journal of Chemical Theory and Computation
Volume:
20
Issue:
3
ISSN:
1549-9618
Format(s):
Medium: X Size: p. 1036-1050
Size(s):
p. 1036-1050
Sponsoring Org:
National Science Foundation
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