Background Providers have been reluctant to disclose patient data for public-health purposes. Even if patient privacy is ensured, the desire to protect provider confidentiality h...
Khaled El Emam, Jun Hu, Jay Mercer, Liam Peyton, M...
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
Dariusz Plewczynski, Michal Lazniewski, Rafal Augu...
: 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 need to harness the growing wealth of information in digital libraries to support intellectual work involving creative and exploratory processes. Prior research on hypertext au...
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...