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Application

Discovery Studio 1.0 Materials Studio 0.9533169533169533 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05473331471655962 Amorphous Cell 0.2770175928511589 Blends 0.001954761239877129 CASTEP 0.3135995531974309 CDOCKER 0.17927953085730242 CHARMm 0.27897235409103605 COMPASS 0.3311924043563251 COMPASS III 0.1117006422786931 COSMObase 0.004468025691147724 COSMOconf 0.006143535325328121 COSMOmic 0.0 COSMOperm 2.7925160569673273E-4 COSMOplex 2.7925160569673273E-4 COSMOquick 5.585032113934655E-4 COSMOtherm 0.0639486177045518 Catalyst 0.08321697849762637 Classical Simulations 1.0 Conformers 5.585032113934655E-4 Crystallization 0.07288466908684725 DFTB Plus 0.00502652890254119 DMol3 0.14102206087685004 DPD 0.0027925160569673277 Discover 0.003351019268360793 Forcite 0.5185702317788328 GULP 0.0161965931304105 Kinetix 2.7925160569673273E-4 LUDI 0.0027925160569673277 LibDock 0.07260541748115051 LigandFit 0.004188774085450991 MODELER 0.2543982127897235 MesoDyn 0.0 Mesocite 0.003351019268360793 Mesoscale 0.005864283719631388 Modules 0.0 Morphology 0.016475844736107234 ONETEP 0.001117006422786931 Polymorph 0.002513264451270595 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.44791957553755934 Reflex 0.052220050265289024 Reflex Plus 0.001117006422786931 Semi-empirical 0.006143535325328121 Sorption 0.06143535325328121 Synthia 0.0013962580284836638 TURBOMOLE 2.7925160569673273E-4 VAMP 5.585032113934655E-4 Visualization 0.7173973750349064 X-Cell 8.377548170901983E-4 ZDOCK 0.029042166992460205

Year

2023 0.0 2024 0.3136729222520107 2025 1.0 2026 0.6333264590637245 2027 0.0012373685295937306

Keywords

target 1.0 potential 0.3068273092369478 docking 0.22730923694779118 analysis 0.2178045515394913 visualization 0.17028112449799196 between 0.13855421686746988 novel 0.09170013386880857 promising 0.08634538152610442 binding 0.07376171352074967 energy 0.07336010709504685 cell 0.0606425702811245 activity 0.05234270414993306 stability 0.03975903614457831 performance 0.03721552878179384 including 0.02530120481927711 synthesized 0.0179384203480589 development 0.01713520749665328 effective 0.01646586345381526 mechanism 0.015261044176706828 experimental 0.011378848728246318 strong 0.009504685408299867 enhanced 0.009236947791164659 interaction 0.00896921017402945 protein 0.0036144578313253013 strategy 0.0
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