Background: In recent years, the number of High Throughput Screening (HTS) assays deposited in PubChem has grown quickly. As a result, the volume of both the structured informatio...
Lianyi Han, Tugba O. Suzek, Yanli Wang, Steve H. B...
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: Recently, mass spectrometry data have been mined using a genetic algorithm to produce discriminatory models that distinguish healthy individuals from those with cancer...
Acoustic quality in room acoustics is measured by well defined quantities, like definition, which can be derived from simulated impulse response filters or measured values. These t...
Frank Michel, Eduard Deines, Martin Hering-Bertr...
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...