Background: One of the strategies for protein function annotation is to search particular structural motifs that are known to be shared by proteins with a given function. Results:...
Background: Most methods for predicting functional sites in protein 3D structures, rely on information on related proteins and cannot be applied to proteins with no known relative...
Benoit H. Dessailly, Marc F. Lensink, Shoshana J. ...
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
: We explore whether protein-RNA interfaces differ from non-interfaces in terms of their structural features and whether structural features vary according to the type of the bound...
Fadi Towfic, Cornelia Caragea, David C. Gemperline...
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...