Gradient-based local search methods (e.g. ADADELTA), as well as an improved version of Solis-Wets from AutoDock 4. Cuda and OpenCL paths to support a wide variety of target platforms based on GPU as ...
Through the database, we obtained differentially expressed genes (DEGs) between pediatric influenza and healthy samples, identified the components of BKN, and collected the targets. Target networks ...
The term glycan refers to a broad category of molecules composed of monosaccharide units linked to each other in a variety of ways, whose structural diversity is related to different functions in ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Article Views are the COUNTER-compliant sum of full text article downloads since ...
Interaction fingerprints are vector representations that summarize the three-dimensional nature of interactions in molecular complexes, typically formed between a protein and a ligand. This kind of ...
The clinical utility of β-lactam antibiotics (penicillins, cephalosporins, monobactams, and carbapenems), which represent about 70% of all antibacterial drugs, is currently threatened by the worldwide ...
Protein–RNA interactions, key in biological processes, remained refractory to prediction algorithms. Here we present a new extension of the ModelX tool suite designed for this purpose. RNA–protein ...
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared with the molecular docking ...
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