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Application

Discovery Studio 1.0 Materials Studio 0.13288049246444492 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051933282789992416 Amorphous Cell 0.03828658074298711 Blends 3.790750568612585E-4 CASTEP 0.016300227445034118 CDOCKER 0.2642153146322972 CHARMm 0.3252463987869598 COMPASS 0.13570887035633056 COMPASS III 0.013646702047005308 COSMObase 0.0 COSMOperm 0.0 COSMOtherm 0.004169825625473844 Catalyst 0.18574677786201668 Classical Simulations 0.5284306292645944 Conformers 3.790750568612585E-4 Crystallization 0.005686125852918878 DFTB Plus 0.001516300227445034 DMol3 0.03222137983320698 Discover 3.790750568612585E-4 Forcite 0.14935557240333586 GULP 7.58150113722517E-4 LUDI 0.006444275966641395 LibDock 0.08263836239575435 LigandFit 0.008339651250947688 MCSS 0.002274450341167551 MODELER 0.20887035633055345 Mesocite 0.0 Mesoscale 0.0 Morphology 0.002274450341167551 QSAR 3.790750568612585E-4 Quantum Mechanics 0.04814253222137983 Reflex 0.003032600454890068 Semi-empirical 0.003032600454890068 Sorption 0.0037907505686125853 VAMP 0.0011372251705837756 Visualization 1.0 X-Cell 0.0011372251705837756 ZDOCK 0.022365428354814254

Year

2019 0.0 2020 0.3212709620476611 2021 0.47396293027360986 2022 0.556045895851721 2023 0.851721094439541 2024 1.0 2025 0.8455428067078552 2026 0.018534863195057368

Keywords

inhibition 1.0 target 0.9711449676823638 docking 0.5163896583564174 potential 0.4067405355493998 visualization 0.3695752539242844 activity 0.203601108033241 analysis 0.18882733148661127 binding 0.1592797783933518 novel 0.1525854108956602 vitro 0.14727608494921515 compound 0.11103416435826408 synthesized 0.08725761772853186 inhibitory 0.07894736842105263 potent 0.07871652816251154 silico 0.07663896583564174 synthesis 0.07594644506001846 promising 0.062326869806094184 enzyme 0.06209602954755309 inhibitor 0.05678670360110803 protein 0.051477377654662974 drug 0.04409048938134811 treatment 0.030470914127423823 between 0.01731301939058172 effective 0.004847645429362881 therapeutic 0.0
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