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Application

Discovery Studio 1.0 Materials Studio 0.45907738095238093 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04911742133537989 Amorphous Cell 0.17958557175748274 Blends 0.0 CASTEP 0.26477359938603223 CDOCKER 0.37068303914044515 CHARMm 0.46508058326937834 COMPASS 0.2724481964696853 COMPASS III 0.06523407521105141 COSMObase 7.674597083653108E-4 COSMOperm 0.0 COSMOquick 0.0015349194167306216 COSMOtherm 0.039907904834996163 Catalyst 0.2578664620107444 Classical Simulations 1.0 Crystallization 0.04834996162701458 DFTB Plus 0.0 DMol3 0.12586339217191098 DPD 0.0015349194167306216 Discover 7.674597083653108E-4 Forcite 0.38756715272448194 GULP 0.006907137375287797 LUDI 0.00844205679201842 LibDock 0.1289332310053722 LigandFit 0.00844205679201842 MCSS 7.674597083653108E-4 MODELER 0.3860322333077513 MesoDyn 0.0 Mesocite 0.0015349194167306216 Mesoscale 0.003837298541826554 Morphology 0.00844205679201842 ONETEP 0.0 Polymorph 0.0030698388334612432 QSAR 0.0 Quantum Mechanics 0.3860322333077513 Reflex 0.03607060629316961 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.023023791250959325 Visualization 0.9808135072908672 X-Cell 7.674597083653108E-4 ZDOCK 0.035303146584804296

Year

2023 0.15042826552462527 2024 0.7350107066381156 2025 1.0 2026 0.3019271948608137 2027 0.0

Keywords

novel 1.0 target 0.9484536082474226 potential 0.3787923416789396 docking 0.3375552282768778 analysis 0.1829160530191458 visualization 0.17496318114874815 synthesized 0.1360824742268041 promising 0.13460972017673048 activity 0.10544918998527246 binding 0.10309278350515463 synthesis 0.09749631811487482 development 0.09013254786450663 compound 0.07245949926362298 between 0.06833578792341678 therapeutic 0.0321060382916053 vitro 0.02297496318114875 effective 0.022091310751104567 protein 0.021207658321060384 drug 0.019440353460972018 stability 0.01796759941089838 design 0.017378497790868926 potent 0.010898379970544918 inhibition 0.010309278350515464 cell 0.005301914580265096 including 0.0
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