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Application

Discovery Studio 0.8782636552939292 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06759358288770054 Amorphous Cell 0.2847058823529412 Blends 0.0024598930481283423 CASTEP 0.39401069518716575 CDOCKER 0.1516577540106952 CHARMm 0.24 COMPASS 0.36727272727272725 COMPASS III 0.08641711229946523 COSMObase 0.0037433155080213902 COSMOconf 0.004491978609625668 COSMOmic 1.06951871657754E-4 COSMOperm 0.0013903743315508022 COSMOplex 2.13903743315508E-4 COSMOquick 0.001497326203208556 COSMOtherm 0.06470588235294118 Cantera 0.0 Catalyst 0.10288770053475936 Classical Simulations 1.0 Conformers 6.417112299465241E-4 Crystallization 0.0758288770053476 DFTB Plus 0.005775401069518717 DMol3 0.17689839572192514 DPD 0.0024598930481283423 Discover 0.0032085561497326204 Forcite 0.546951871657754 GULP 0.02427807486631016 Kinetix 3.2085561497326203E-4 LUDI 0.0033155080213903743 LibDock 0.06502673796791444 LigandFit 0.004171122994652407 MCSS 4.27807486631016E-4 MODELER 0.19144385026737967 MesoDyn 9.625668449197861E-4 Mesocite 0.0035294117647058825 Mesoscale 0.006524064171122995 Modules 0.0 Morphology 0.018288770053475935 ONETEP 0.0010695187165775401 Polymorph 0.0019251336898395723 QMERA 1.06951871657754E-4 QSAR 0.0010695187165775401 Quantum Mechanics 0.5594652406417112 Reflex 0.054866310160427804 Reflex Plus 9.625668449197861E-4 Semi-empirical 0.0074866310160427805 Sorption 0.05850267379679144 Synthia 0.001497326203208556 TURBOMOLE 6.417112299465241E-4 VAMP 0.0013903743315508022 Visualization 0.7500534759358288 X-Cell 0.0013903743315508022 ZDOCK 0.025454545454545455

Year

2022 8.830801836806782E-5 2023 0.26139173436948077 2024 0.5953726598375132 2025 1.0 2026 0.3753973860826563 2027 0.0

Keywords

target 1.0 potential 0.28043435917413323 docking 0.2004285157771718 analysis 0.19171211530970003 visualization 0.1805609661082976 between 0.1567978184651344 novel 0.09738994935722634 energy 0.09485781067393845 cell 0.06413128165173354 promising 0.0628652123100896 binding 0.060333073626801716 activity 0.04367939228671601 performance 0.03851772497078301 stability 0.03851772497078301 experimental 0.030823918971562135 interaction 0.029411764705882353 synthesized 0.0266361511492014 effective 0.019916244643552787 mechanism 0.01845539540319439 including 0.017871055707051033 development 0.017286716010907675 synthesis 0.006184261784183872 protein 0.006038176860148033 design 4.382547721075185E-4 enhanced 0.0
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