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Application

Discovery Studio 1.0 Materials Studio 0.0168 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0025974025974025974 Amorphous Cell 0.005844155844155844 CASTEP 6.493506493506494E-4 CDOCKER 0.21363636363636362 CHARMm 0.2623376623376623 COMPASS 0.008441558441558441 COMPASS III 0.0 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 0.003246753246753247 Catalyst 0.17142857142857143 Classical Simulations 0.2831168831168831 Conformers 0.0 Crystallization 0.0012987012987012987 DFTB Plus 0.0 DMol3 0.001948051948051948 Forcite 0.014285714285714285 LUDI 0.007142857142857143 LibDock 0.08896103896103896 LigandFit 0.01038961038961039 MCSS 0.001948051948051948 MODELER 0.08701298701298701 MesoDyn 0.0 Mesoscale 0.0 QSAR 0.0 Quantum Mechanics 0.0025974025974025974 Reflex 0.0012987012987012987 Semi-empirical 6.493506493506494E-4 Sorption 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.04415584415584416

Year

2022 0.0

Keywords

target 1.0 visualization 0.5456674473067916 docking 0.5105386416861827 potential 0.30304449648711945 binding 0.2028103044496487 analysis 0.18594847775175644 activity 0.17330210772833723 protein 0.15175644028103044 novel 0.15128805620608898 vitro 0.10117096018735364 drug 0.09789227166276347 silico 0.09274004683840749 synthesis 0.08337236533957845 compound 0.07587822014051522 treatment 0.06697892271662763 interaction 0.06557377049180328 inhibition 0.06510538641686182 between 0.06135831381733021 synthesized 0.04402810304449649 potent 0.024824355971896955 well 0.007962529274004685 cell 0.00468384074941452 development 0.001405152224824356 therapeutic 9.36768149882904E-4 promising 0.0
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