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Application

Discovery Studio 1.0 Materials Studio 0.08959390862944162 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.007630522088353414 Amorphous Cell 0.026907630522088354 Blends 8.032128514056225E-4 CASTEP 0.04216867469879518 CDOCKER 0.178714859437751 CHARMm 0.27710843373493976 COMPASS 0.05421686746987952 COMPASS III 0.004819277108433735 COSMOquick 0.0 COSMOtherm 0.007228915662650603 Catalyst 0.19437751004016066 Classical Simulations 0.3602409638554217 Crystallization 0.009236947791164659 DFTB Plus 4.0160642570281126E-4 DMol3 0.02208835341365462 DPD 8.032128514056225E-4 Discover 8.032128514056225E-4 Forcite 0.05542168674698795 GULP 0.002008032128514056 LUDI 0.007228915662650603 LibDock 0.07188755020080322 LigandFit 0.007630522088353414 MCSS 4.0160642570281126E-4 MODELER 0.07429718875502007 MesoDyn 0.0 Mesocite 8.032128514056225E-4 Mesoscale 0.001606425702811245 Morphology 0.001606425702811245 ONETEP 0.0 QSAR 0.0 Quantum Mechanics 0.06305220883534136 Reflex 0.007228915662650603 Semi-empirical 4.0160642570281126E-4 Sorption 0.004819277108433735 Visualization 1.0 X-Cell 0.0 ZDOCK 0.030522088353413655

Year

2023 0.0

Keywords

target 1.0 docking 0.5142935678944475 visualization 0.5142935678944475 potential 0.3317757009345794 analysis 0.22072567344694888 binding 0.19241341396371633 protein 0.1588785046728972 activity 0.1583287520615723 novel 0.14733369983507422 silico 0.10252886201209456 vitro 0.09785596481583288 drug 0.09400769653655855 between 0.08741066520065971 interaction 0.08603628367234745 compound 0.08466190214403518 synthesis 0.06789444749862562 inhibition 0.059923034634414514 synthesized 0.05964815832875206 treatment 0.05057724024189115 development 0.031061022539857066 promising 0.01896646509070918 potent 0.01017042330951072 active 0.008521165475536009 mechanism 0.0021990104452996153 cell 0.0
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