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JCC
2011
109views more  JCC 2011»
12 years 11 months ago
VoteDock: Consensus docking method for prediction of protein-ligand interactions
: Molecular recognition plays a fundamental role in all biological processes, and that is why great efforts have been made to understand and predict protein–ligand interactions. ...
Dariusz Plewczynski, Michal Lazniewski, Marcin von...
LION
2009
Springer
135views Optimization» more  LION 2009»
14 years 3 months ago
Neural Network Pairwise Interaction Fields for Protein Model Quality Assessment
We present a new knowledge-based Model Quality Assessment Program (MQAP) at the residue level which evaluates single protein structure models. We use a tree representation of the ...
Alberto J. M. Martin, Alessandro Vullo, Gianluca P...
BMCBI
2005
141views more  BMCBI 2005»
13 years 8 months ago
A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models
Background: G- Protein coupled receptors (GPCRs) comprise the largest group of eukaryotic cell surface receptors with great pharmacological interest. A broad range of native ligan...
Nikolaos G. Sgourakis, Pantelis G. Bagos, Panagiot...
BMCBI
2007
113views more  BMCBI 2007»
13 years 8 months ago
Hinge Atlas: relating protein sequence to sites of structural flexibility
Background: Relating features of protein sequences to structural hinges is important for identifying domain boundaries, understanding structure-function relationships, and designi...
Samuel Flores, Long J. Lu, Julie Yang, Nicholas Ca...
BMCBI
2008
114views more  BMCBI 2008»
13 years 8 months ago
Testing the Coulomb/Accessible Surface Area solvent model for protein stability, ligand binding, and protein design
Background: Protein structure prediction and computational protein design require efficient yet sufficiently accurate descriptions of aqueous solvent. We continue to evaluate the ...
Marcel Schmidt am Busch, Anne Lopes, Najette Amara...