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Application

Discovery Studio 0.9884227296866702 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06286332296877112 Amorphous Cell 0.28092469920237934 Blends 0.002027849128024875 CASTEP 0.3644720832770042 CDOCKER 0.16425577937001487 CHARMm 0.26348519670136544 COMPASS 0.35081789914830336 COMPASS III 0.0935514397728809 COSMObase 0.00405569825604975 COSMOconf 0.0048668379072597 COSMOmic 1.35189941868325E-4 COSMOperm 6.75949709341625E-4 COSMOplex 1.35189941868325E-4 COSMOquick 0.0016222793024199 COSMOtherm 0.06421522238745438 Cantera 0.0 Catalyst 0.10342030552926862 Classical Simulations 1.0 Conformers 6.75949709341625E-4 Crystallization 0.07219142895768554 DFTB Plus 0.00459645802352305 DMol3 0.16398539948627822 DPD 0.002027849128024875 Discover 0.0035149384885764497 Forcite 0.5335947005542787 GULP 0.02027849128024875 Kinetix 1.35189941868325E-4 LUDI 0.0037853183723131 LibDock 0.06908206029471407 LigandFit 0.0041908881979180745 MCSS 5.407597674733E-4 MODELER 0.22901176152494254 MesoDyn 6.75949709341625E-4 Mesocite 0.003109368662971475 Mesoscale 0.005407597674733 Modules 0.0 Morphology 0.016898742733540625 ONETEP 0.0010815195349466 Polymorph 0.00189265918615655 QMERA 1.35189941868325E-4 QSAR 8.1113965120995E-4 Quantum Mechanics 0.517912667297553 Reflex 0.05258888738677842 Reflex Plus 0.0010815195349466 Semi-empirical 0.00621873732594295 Sorption 0.056239015817223195 Synthia 8.1113965120995E-4 TURBOMOLE 4.05569825604975E-4 VAMP 0.001216709476814925 Visualization 0.7681492496958227 X-Cell 0.0016222793024199 ZDOCK 0.027308368257401648

Year

2023 0.1437948717948718 2024 0.489025641025641 2025 1.0 2026 0.4357948717948718 2027 0.0

Keywords

target 1.0 potential 0.2962665843875347 docking 0.22091946929959888 analysis 0.2054921320580068 visualization 0.184757790805307 between 0.15180499845726628 novel 0.10003085467448318 energy 0.08287565566183276 promising 0.07263190373341562 binding 0.07108917000925641 cell 0.06220302375809935 activity 0.05035482875655662 stability 0.040728170317803146 performance 0.03492749151496452 synthesized 0.025239123727244676 experimental 0.022153656278926258 interaction 0.02172169083616168 including 0.0212897253933971 effective 0.017216908361616785 development 0.01709348966368405 mechanism 0.01622955877815489 protein 0.011663066954643628 synthesis 0.005492132058006788 enhanced 0.0034557235421166306 design 0.0
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