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Application

Discovery Studio 1.0 Materials Studio 0.15466210436270317 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014839491217443974 Amorphous Cell 0.02483343428225318 Blends 3.028467595396729E-4 CASTEP 0.08116293155663235 CDOCKER 0.2504542701393095 CHARMm 0.3052695336159903 COMPASS 0.04542701393095094 COMPASS III 0.010599636583888553 COSMObase 9.085402786190188E-4 COSMOconf 0.0012113870381586917 COSMOperm 0.0 COSMOtherm 0.015748031496062992 Catalyst 0.15687462144155057 Classical Simulations 0.403694730466384 Conformers 0.0 Crystallization 0.017867958812840704 DFTB Plus 3.028467595396729E-4 DMol3 0.09479103573591763 DPD 0.0 Discover 6.056935190793458E-4 Forcite 0.06692913385826772 GULP 0.0024227740763173833 LUDI 0.0036341611144760752 LibDock 0.09448818897637795 LigandFit 0.010902483343428226 MCSS 9.085402786190188E-4 MODELER 0.24106602059357965 MesoDyn 3.028467595396729E-4 Mesocite 3.028467595396729E-4 Mesoscale 9.085402786190188E-4 Morphology 0.0015142337976983646 ONETEP 0.0 Polymorph 0.0 QMERA 3.028467595396729E-4 QSAR 6.056935190793458E-4 Quantum Mechanics 0.17231980617807388 Reflex 0.016050878255602665 Semi-empirical 0.0012113870381586917 Sorption 0.004845548152634767 VAMP 0.0 Visualization 1.0 ZDOCK 0.02998182919442762

Year

2020 0.0 2021 0.3845736013036393 2022 0.5171102661596958 2023 0.6751765344921239 2024 1.0 2025 0.78164041281912 2026 0.07278652906029331

Keywords

activity 1.0 target 0.9681818181818181 docking 0.46975524475524477 visualization 0.3706293706293706 potential 0.3622377622377622 analysis 0.21206293706293705 novel 0.15944055944055943 binding 0.15594405594405594 vitro 0.1236013986013986 compound 0.09458041958041959 inhibition 0.08811188811188811 synthesis 0.08671328671328671 protein 0.08269230769230769 synthesized 0.08041958041958042 silico 0.07692307692307693 promising 0.06695804195804196 between 0.05314685314685315 potent 0.03513986013986014 active 0.03496503496503497 treatment 0.033391608391608395 drug 0.030944055944055943 development 0.013286713286713287 interaction 0.011363636363636364 enzyme 0.002972027972027972 effective 0.0
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