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Application

Discovery Studio 1.0 Materials Studio 0.08374733853797019 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.007656967840735069 Amorphous Cell 0.04900459418070444 CASTEP 0.030627871362940276 CDOCKER 0.30321592649310875 CHARMm 0.48545176110260335 COMPASS 0.07197549770290965 COMPASS III 0.016845329249617153 COSMOconf 0.0015313935681470138 COSMOtherm 0.0030627871362940277 Catalyst 0.1362940275650842 Classical Simulations 0.6186830015313936 Crystallization 0.006125574272588055 DMol3 0.01225114854517611 Discover 0.0030627871362940277 Forcite 0.10413476263399694 GULP 0.0 LUDI 0.0030627871362940277 LibDock 0.12404287901990811 LigandFit 0.006125574272588055 MODELER 0.44716692189892804 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.0444104134762634 Reflex 0.004594180704441042 Reflex Plus 0.0 Sorption 0.009188361408882083 Visualization 1.0 ZDOCK 0.05666156202143951

Year

2025 0.0

Keywords

target 1.0 docking 0.513136288998358 potential 0.4753694581280788 visualization 0.3111658456486043 analysis 0.2914614121510673 binding 0.21839080459770116 novel 0.1510673234811166 activity 0.1297208538587849 therapeutic 0.12889983579638753 promising 0.12151067323481117 protein 0.09523809523809523 silico 0.06403940886699508 including 0.05090311986863711 vitro 0.04597701149425287 between 0.04433497536945813 inhibition 0.035303776683087026 strong 0.026272577996715927 compound 0.024630541871921183 synthesis 0.024630541871921183 development 0.014778325123152709 modeler 0.012315270935960592 synthesized 0.0049261083743842365 treatment 0.004105090311986864 interaction 0.0024630541871921183 drug 0.0
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