Ontology highlight
ABSTRACT:
SUBMITTER: Yang CY
PROVIDER: S-EPMC4007901 | biostudies-literature | 2010 Jun
REPOSITORIES: biostudies-literature
Yang Chao-Yie CY Wang Shaomeng S
ACS medicinal chemistry letters 20100325 3
Mapping protein hotspots and analysis of the binding free energy associated with each hotspot can provide critical information for drug design. In the present study, we have performed computational analysis for the two known hotspots in thermolysin. Our data showed that the free energy double-decoupling method can determine the binding free energy of different probe molecules associated with the same hotspot or different hotspots with the same probe molecule. The less expensive cosolvent mapping ...[more]