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Application

Discovery Studio 1.0 Materials Studio 0.187164084729687 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015984015984015984 Amorphous Cell 0.05844155844155844 Blends 9.99000999000999E-4 CASTEP 0.08541458541458541 CDOCKER 0.17832167832167833 CHARMm 0.2792207792207792 COMPASS 0.1108891108891109 COMPASS III 0.008991008991008992 COSMOplex 0.0 COSMOquick 4.995004995004995E-4 COSMOtherm 0.013486513486513486 Catalyst 0.1953046953046953 Classical Simulations 0.45104895104895104 Crystallization 0.01998001998001998 DFTB Plus 9.99000999000999E-4 DMol3 0.04495504495504495 DPD 9.99000999000999E-4 Discover 0.001998001998001998 Forcite 0.11938061938061938 GULP 0.002997002997002997 LUDI 0.007992007992007992 LibDock 0.07092907092907093 LigandFit 0.006493506493506494 MCSS 4.995004995004995E-4 MODELER 0.07792207792207792 MesoDyn 0.0 Mesocite 9.99000999000999E-4 Mesoscale 0.001998001998001998 Morphology 0.005494505494505495 ONETEP 9.99000999000999E-4 QSAR 0.0 Quantum Mechanics 0.12737262737262736 Reflex 0.014485514485514486 Semi-empirical 0.0014985014985014985 Sorption 0.008491508491508492 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.028471528471528472

Year

2023 0.0

Keywords

target 1.0 docking 0.4544893551373033 visualization 0.4517124344338167 potential 0.302684356680037 analysis 0.21166306695464362 binding 0.16013576056772602 activity 0.1394631286639926 novel 0.13514347423634682 protein 0.12958963282937366 between 0.09225547670472077 vitro 0.08361616784942918 silico 0.08145634063560629 interaction 0.07837087318728787 drug 0.07219993829065104 compound 0.06664609688367788 synthesis 0.05553841406973156 synthesized 0.05492132058006788 inhibition 0.04659055846960815 treatment 0.03609996914532552 development 0.023449552607219995 promising 0.012341869793273681 cell 0.008022215365627893 mechanism 0.008022215365627893 active 0.002776920703486578 potent 0.0
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