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Application

Discovery Studio 1.0 Materials Studio 0.16342124722701504 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.013679890560875513 Amorphous Cell 0.028727770177838577 Blends 0.0 CASTEP 0.09302325581395349 CDOCKER 0.2672138622891017 CHARMm 0.3328773369813042 COMPASS 0.04605563155494756 COMPASS III 0.015503875968992248 COSMObase 9.119927040583675E-4 COSMOconf 0.0013679890560875513 COSMOtherm 0.020975832193342453 Catalyst 0.15230278157774738 Classical Simulations 0.43958048335613314 Conformers 0.0 Crystallization 0.020063839489284085 DFTB Plus 0.0 DMol3 0.10807113543091655 DPD 0.0 Discover 9.119927040583675E-4 Forcite 0.07159142726858185 GULP 0.00364797081623347 LUDI 0.00364797081623347 LibDock 0.10214318285453716 LigandFit 0.010031919744642043 MCSS 4.5599635202918376E-4 MODELER 0.28773369813041494 MesoDyn 0.0 Mesocite 0.0 Mesoscale 4.5599635202918376E-4 Morphology 0.0013679890560875513 Polymorph 0.0 QMERA 9.119927040583675E-4 QSAR 0.0 Quantum Mechanics 0.19653442772457821 Reflex 0.01823985408116735 Semi-empirical 0.0013679890560875513 Sorption 0.004103967168262654 Visualization 1.0 ZDOCK 0.0337437300501596

Year

2020 0.0 2021 0.2433052792654935 2022 0.28309104820198927 2023 0.43993879112471307 2024 0.981637337413925 2025 1.0 2026 0.0665646518745218

Keywords

activity 1.0 target 0.9680614013369646 docking 0.4684327803911859 potential 0.3750928447635553 visualization 0.34117355781133946 analysis 0.22678880911116614 binding 0.16513988611042338 novel 0.15969299331517703 vitro 0.12106957167615746 compound 0.09878682842287695 inhibition 0.09185441941074524 protein 0.08665511265164645 synthesis 0.08516959643476107 synthesized 0.08096063382025254 promising 0.08046546174795742 silico 0.07551374102500619 between 0.06239168110918544 potent 0.036395147313691506 treatment 0.035652389205248824 active 0.03317652884377321 drug 0.02500618965090369 development 0.021787571180985392 interaction 0.010893785590492696 effective 0.009408269373607328 enzyme 0.0
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