: 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...
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...
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...
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...
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...