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Application

Discovery Studio 1.0 Materials Studio 0.06188634335019339 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.010507880910683012 Amorphous Cell 0.020431990659661413 Blends 0.0 CASTEP 0.030939871570344425 CDOCKER 0.24460011675423235 CHARMm 0.38178633975481613 COMPASS 0.04144775248102744 COMPASS III 0.0035026269702276708 COSMOquick 0.0 COSMOtherm 0.0017513134851138354 Catalyst 0.13952130764740223 Classical Simulations 0.45767659077641565 Crystallization 0.008756567425569177 DFTB Plus 0.0011675423234092236 DMol3 0.014594279042615295 Forcite 0.050204319906596614 GULP 0.0035026269702276708 LUDI 0.005253940455341506 LibDock 0.09748978400467016 LigandFit 0.007589025102159953 MCSS 0.0017513134851138354 MODELER 0.3561004086398132 MesoDyn 0.0 Mesoscale 0.0 Morphology 0.0011675423234092236 ONETEP 0.0 Polymorph 0.0 Quantum Mechanics 0.04553415061295972 Reflex 0.00642148277875073 Semi-empirical 0.0011675423234092236 Sorption 0.004670169293636894 Visualization 1.0 ZDOCK 0.044366608289550497

Year

2024 0.0

Keywords

target 1.0 docking 0.5233998623537509 potential 0.42498279421885754 visualization 0.3860977288368892 analysis 0.2708189951823813 binding 0.2002752924982794 activity 0.1672401927047488 novel 0.14521679284239505 protein 0.12869924294562973 vitro 0.08637302133516862 silico 0.07983482450103235 between 0.07949070887818308 promising 0.06366139022711631 synthesis 0.05333792154163799 compound 0.04955264969029594 therapeutic 0.048864418444597386 drug 0.04852030282174811 treatment 0.042326221610461116 inhibition 0.040949759119064004 interaction 0.03475567790777701 synthesized 0.02615278733654508 development 0.007914659325533379 potent 0.0072264280798348245 modeler 0.004473503097040606 including 0.0
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