Summary: Pocketome: an encyclopedia of
small-molecule binding sites in 4D
Irina Kufareva1,
*, Andrey V. Ilatovskiy1,2,3
and Ruben Abagyan1,
*
1
UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA, 92093, USA, 2
Division of
Molecular and Radiation Biophysics, Petersburg Nuclear Physics Institute, Russian Academy of Sciences,
Gatchina, 188300 and 3
Research and Education Center `Biophysics', PNPI RAS and St. Petersburg State
Polytechnical University, St. Petersburg, 194064, Russia
Received August 15, 2011; Accepted September 18, 2011
ABSTRACT
The importance of binding site plasticity in protein­
ligand interactions is well-recognized, and so
are the difficulties in predicting the nature and the
degree of this plasticity by computational means. To
assist in understanding the flexible protein­ligand

Source: Abagyan, Ruben - School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego

Collections: Biology and Medicine