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Application

Discovery Studio 1.0 Materials Studio 0.01364213197969543 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0038427431274017146 Amorphous Cell 0.0011823825007389892 CASTEP 8.867868755542418E-4 CDOCKER 0.21105527638190955 CHARMm 0.3564883239728052 COMPASS 0.004433934377771209 COMPASS III 0.002069169376293231 COSMOtherm 5.911912503694946E-4 Catalyst 0.16169080697605676 Classical Simulations 0.3703813183564883 Crystallization 0.0017735737511084836 DMol3 0.007685486254803429 Forcite 0.007981081879988175 LUDI 0.0053207212533254505 LibDock 0.09074785693171741 LigandFit 0.0029559562518474726 MCSS 2.955956251847473E-4 MODELER 0.2908660951817913 Polymorph 0.0 QSAR 5.911912503694946E-4 Quantum Mechanics 0.008867868755542418 Reflex 0.0014779781259237363 Sorption 5.911912503694946E-4 Visualization 1.0 X-Cell 5.911912503694946E-4 ZDOCK 0.02601241501625776

Year

2022 0.0 2023 0.31456953642384106 2024 1.0 2025 0.7887417218543047 2026 0.01423841059602649

Keywords

docking 1.0 target 0.9649730561970746 potential 0.514626635873749 visualization 0.42282525019245576 analysis 0.37028483448806776 binding 0.30042340261739797 activity 0.17032332563510394 protein 0.15165511932255582 novel 0.14665127020785218 silico 0.12028483448806775 vitro 0.10739030023094688 compound 0.09276366435719785 between 0.08102386451116243 promising 0.07948421862971516 drug 0.0779445727482679 inhibition 0.07467282525019246 therapeutic 0.07255581216320246 synthesis 0.06081601231716705 synthesized 0.05177059276366436 interaction 0.05157813702848345 including 0.02617397998460354 treatment 0.025404157043879907 potent 0.010200153964588145 stability 0.00712086220169361 development 0.0
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