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Application

Discovery Studio 0.867436958388633 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0686336053567692 Amorphous Cell 0.28551998326009626 Blends 0.0025109855618330196 CASTEP 0.3948524795982423 CDOCKER 0.1497175141242938 CHARMm 0.2379158819836786 COMPASS 0.3699518727767315 COMPASS III 0.08610587989119063 COSMObase 0.003766478342749529 COSMOconf 0.004394224733207784 COSMOmic 1.0462439840970915E-4 COSMOperm 0.001360117179326219 COSMOplex 2.092487968194183E-4 COSMOquick 0.001464741577735928 COSMOtherm 0.06486712701401967 Cantera 0.0 Catalyst 0.10326428123038292 Classical Simulations 1.0 Conformers 8.369951872776732E-4 Crystallization 0.07637581083908768 DFTB Plus 0.005754341912534003 DMol3 0.1784892236869638 DPD 0.0026156099602427287 Discover 0.0032433563507009836 Forcite 0.5486503452605147 GULP 0.02416823603264281 Kinetix 3.1387319522912746E-4 LUDI 0.003557229545930111 LibDock 0.0641347562251517 LigandFit 0.004289600334798075 MCSS 5.231219920485457E-4 MODELER 0.1875915463486085 MesoDyn 0.0010462439840970914 Mesocite 0.003766478342749529 Mesoscale 0.006695961498221385 Modules 0.0 Morphology 0.01810002092487968 ONETEP 0.0010462439840970914 Polymorph 0.0018832391713747645 QMERA 1.0462439840970915E-4 QSAR 0.0010462439840970914 Quantum Mechanics 0.5619376438585478 Reflex 0.055660179953965265 Reflex Plus 9.416195856873823E-4 Semi-empirical 0.007428332287089349 Sorption 0.058275789914207995 Synthia 0.001464741577735928 TURBOMOLE 6.277463904582549E-4 VAMP 0.001360117179326219 Visualization 0.7467043314500942 X-Cell 0.001360117179326219 ZDOCK 0.025005231219920484

Year

2022 3.527647940735515E-4 2023 0.27498015698033335 2024 0.6242173031131493 2025 1.0 2026 0.37490078490166684 2027 0.0

Keywords

target 1.0 potential 0.2785673407096528 docking 0.19787294925600915 analysis 0.19095764975200305 visualization 0.18022701259061427 between 0.1575734452499046 novel 0.09724341854254101 energy 0.09538344143456697 cell 0.06519458222052651 promising 0.06180847004959939 binding 0.05990080122090805 activity 0.042922548645555135 stability 0.03882106066386875 performance 0.038630293780999615 experimental 0.032048836322014496 interaction 0.030522701259061428 synthesized 0.027470431133155285 effective 0.020507439908431895 mechanism 0.01879053796260969 including 0.018361312476154138 development 0.01783670354826402 synthesis 0.0064860740175505536 protein 0.006056848531095002 design 0.0015261350629530714 enhanced 0.0
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