High throughput virtual screening is acknowledged as the initial means for identifying hit compounds that will be eventually transformed to leads or drug candidates. To improve qu...
Suzanne W. Sirois, George Hatzakis, Dongqing Wei, ...
Background: Profile-profile methods have been used for some years now to detect and align homologous proteins. The best such methods use information from the background distributi...
Background: Many biological processes involve the physical interaction between protein domains. Understanding these functional associations requires knowledge of the molecular str...
Background: Identifying the active site of an enzyme is a crucial step in functional studies. While protein sequences and structures can be experimentally characterized, determini...
Background: Many algorithms exist for protein structural alignment, based on internal protein coordinates or on explicit superposition of the structures. These methods are usually...
Background: The ability to design thermostable proteins is theoretically important and practically useful. Robust and accurate algorithms, however, remain elusive. One critical pr...
Motivation: Protein–protein complexes are known to play key roles in many cellular processes. However, they are often not accessible to experimental study because of their low s...
Recently several researchers have investigated techniques for using data to learn Bayesian networks containing compact representations for the conditional probability distribution...
David Maxwell Chickering, David Heckerman, Christo...
Given two planar polylines T and P with n and m edges, respectively, we present an Om2 n2 time, Omn space algorithm to nd portions of the text" T which are similar in sh...
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...