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Application

Discovery Studio 1.0 Materials Studio 0.023884892086330937 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00234192037470726 Amorphous Cell 0.011241217798594848 CASTEP 0.001873536299765808 CDOCKER 0.20843091334894615 CHARMm 0.2594847775175644 COMPASS 0.01639344262295082 COMPASS III 0.0 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 0.003747072599531616 Catalyst 0.1737704918032787 Classical Simulations 0.29133489461358314 Conformers 0.0 Crystallization 0.00468384074941452 DFTB Plus 0.0 DMol3 9.36768149882904E-4 DPD 0.0 Discover 0.0 Forcite 0.022950819672131147 LUDI 0.008899297423887589 LibDock 0.08430913348946135 LigandFit 0.009836065573770493 MCSS 0.002810304449648712 MODELER 0.10679156908665105 MesoDyn 0.0 Mesocite 0.0 Mesoscale 4.68384074941452E-4 Morphology 9.36768149882904E-4 QSAR 0.0 Quantum Mechanics 0.002810304449648712 Reflex 0.003278688524590164 Semi-empirical 4.68384074941452E-4 Sorption 9.36768149882904E-4 VAMP 0.0 Visualization 1.0 ZDOCK 0.041686182669789226

Year

2022 0.0

Keywords

target 1.0 visualization 0.5413584398117014 docking 0.5147948890383323 potential 0.29993275050437124 binding 0.20645595158036315 analysis 0.1812373907195696 activity 0.17484868863483524 protein 0.1590450571620713 novel 0.1476126429051782 silico 0.0988567585743107 vitro 0.0988567585743107 drug 0.09717552118359113 synthesis 0.08238063214525891 compound 0.07666442501681238 interaction 0.07229320780094149 inhibition 0.06691324815063887 between 0.06355077336919973 treatment 0.06153328850033625 synthesized 0.05043712172158709 potent 0.016812373907195696 development 0.010087424344317418 well 0.008406186953597848 active 0.0026899798251513113 enzyme 0.0020174848688634837 cell 0.0
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