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CANDC
2005
ACM
8 years 10 months ago
Assessment of chemical libraries for their druggability
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, ...
BMCBI
2005
87views more  BMCBI 2005»
8 years 10 months ago
ProfNet, a method to derive profile-profile alignment scoring functions that improves the alignments of distantly related protei
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...
Tomas Ohlson, Arne Elofsson
BMCBI
2006
130views more  BMCBI 2006»
8 years 10 months ago
Docking protein domains in contact space
Background: Many biological processes involve the physical interaction between protein domains. Understanding these functional associations requires knowledge of the molecular str...
Stefano Lise, Alice Walker-Taylor, David T. Jones
BMCBI
2008
103views more  BMCBI 2008»
8 years 10 months ago
Detection of protein catalytic residues at high precision using local network properties
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...
Patrick Slama, Ioannis Filippis, Michael Lappe
BMCBI
2007
160views more  BMCBI 2007»
8 years 10 months ago
Convergent algorithms for protein structural alignment
Background: Many algorithms exist for protein structural alignment, based on internal protein coordinates or on explicit superposition of the structures. These methods are usually...
Leandro Martínez, Roberto Andreani, Jos&eac...
BMCBI
2010
104views more  BMCBI 2010»
8 years 10 months ago
A novel scoring function for discriminating hyperthermophilic and mesophilic proteins with application to predicting relative th
Background: The ability to design thermostable proteins is theoretically important and practically useful. Robust and accurate algorithms, however, remain elusive. One critical pr...
Yunqi Li, C. Russell Middaugh, Jianwen Fang
BIOINFORMATICS
2007
151views more  BIOINFORMATICS 2007»
8 years 10 months ago
A new protein-protein docking scoring function based on interface residue properties
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...
Julie Bernauer, Jérôme Azé, Jo...
UAI
1997
8 years 11 months ago
A Bayesian Approach to Learning Bayesian Networks with Local Structure
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...
SODA
1997
ACM
169views Algorithms» more  SODA 1997»
8 years 11 months ago
Partial Matching of Planar Polylines Under Similarity Transformations
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...
Scott D. Cohen, Leonidas J. Guibas
GECCO
2003
Springer
165views Optimization» more  GECCO 2003»
9 years 3 months ago
An Evolutionary Approach for Molecular Docking
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...
Jinn-Moon Yang
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