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: Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans...
Background: Nonnegative matrix factorization (NMF) is a feature extraction method that has the property of intuitive part-based representation of the original features. This uniqu...
Background: Accurate small molecule binding site information for a protein can facilitate studies in drug docking, drug discovery and function prediction, but small molecule bindi...
Kevin A. Snyder, Howard J. Feldman, Michel Dumonti...
Background: The development and testing of functions for the modeling of protein energetics is an important part of current research aimed at understanding protein structure and f...