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 ...

ABSTRACT: Anxiety is a significant mental health issue that substantially affects an individual’s quality of life. Feelings of uneasiness, irritability, and sleep disturbances characterize it.

Abstract: Molecular docking plays a vital role in modern drug discovery, by supporting predictions of the binding modes and affinities of ligands at the binding site of target proteins. Several ...

I have been working with AutoDock4 since a few years ago and now that there is a recent and updated version I really wanted to give it a try. I tried to compile AutoDock-GPU from source and failed, ...

1 CNRS UMR 8251, INSERM ERL U1133, Université de Paris, Paris, France 2 Ressource Parisienne en Bioinformatique Structurale (RPBS), Paris, France In silico assessment of protein receptor interactions ...