25 research outputs found
An effective docking strategy for virtual screening based on multi-objective optimization algorithm
Get PDFBgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes
Full text linkFast Fourier transform analysis in cavity ring-down spectroscopy: application to an optical detector for atmospheric NO<sub>2</sub>
No full textGVSS: A High Throughput Drug Discovery Service of Avian Flu and Dengue Fever for EGEE and EUAsiaGrid
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A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarity
No full textMachine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins
No full textStructure-based drug design studies of UDP-N-acetylglucosamine pyrophosphosrylase, a key enzyme for the control of witches’ broom disease
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Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets
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