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Application

Discovery Studio 1.0 Materials Studio 0.1553030303030303 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.009652509652509652 Amorphous Cell 0.03861003861003861 CASTEP 0.10231660231660232 CDOCKER 0.28957528957528955 CHARMm 0.42277992277992277 COMPASS 0.04633204633204633 COMPASS III 0.02895752895752896 COSMObase 0.0019305019305019305 COSMOconf 0.0019305019305019305 COSMOtherm 0.03474903474903475 Catalyst 0.15057915057915058 Classical Simulations 0.5463320463320464 Crystallization 0.021235521235521235 DMol3 0.10038610038610038 Forcite 0.08687258687258688 GULP 0.0019305019305019305 LUDI 0.005791505791505791 LibDock 0.12548262548262548 LigandFit 0.003861003861003861 MCSS 0.0019305019305019305 MODELER 0.40540540540540543 Morphology 0.0 QMERA 0.0 Quantum Mechanics 0.1969111969111969 Reflex 0.019305019305019305 Semi-empirical 0.0 Sorption 0.005791505791505791 Visualization 1.0 ZDOCK 0.04826254826254826

Year

2023 0.0 2024 0.7039764359351989 2025 1.0 2026 0.16936671575846834

Keywords

activity 1.0 target 0.9520153550863724 docking 0.46833013435700577 potential 0.4059500959692898 visualization 0.2715930902111324 analysis 0.2600767754318618 binding 0.17754318618042225 novel 0.16122840690978887 promising 0.1218809980806142 compound 0.09500959692898273 vitro 0.08829174664107485 inhibition 0.08349328214971209 silico 0.060460652591170824 synthesized 0.05950095969289827 synthesis 0.05470249520153551 protein 0.0508637236084453 therapeutic 0.03166986564299424 between 0.028790786948176585 potent 0.028790786948176585 treatment 0.026871401151631478 effective 0.01727447216890595 including 0.014395393474088292 development 0.009596928982725527 strong 0.0047984644913627635 active 0.0
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