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Application

Discovery Studio 1.0 Materials Studio 0.5284916201117319 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08056580565805659 Amorphous Cell 0.29274292742927427 Blends 0.0024600246002460025 CASTEP 0.13837638376383765 CDOCKER 0.1881918819188192 CHARMm 0.3591635916359164 COMPASS 0.34686346863468637 COMPASS III 0.06826568265682657 COSMObase 0.0018450184501845018 COSMOconf 0.0036900369003690036 COSMOmic 0.0 COSMOperm 6.150061500615006E-4 COSMOquick 0.0012300123001230013 COSMOtherm 0.04858548585485855 Catalyst 0.11623616236162361 Classical Simulations 1.0 Crystallization 0.03997539975399754 DFTB Plus 0.008610086100861008 DMol3 0.12669126691266913 DPD 0.0024600246002460025 Discover 0.003075030750307503 Forcite 0.4821648216482165 GULP 0.010455104551045511 LUDI 0.005535055350553505 LibDock 0.08118081180811808 LigandFit 0.0018450184501845018 MODELER 0.25092250922509224 MesoDyn 6.150061500615006E-4 Mesocite 0.006150061500615006 Mesoscale 0.007995079950799507 Morphology 0.015990159901599015 ONETEP 0.0018450184501845018 Polymorph 0.0012300123001230013 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.25153751537515373 Reflex 0.022755227552275523 Reflex Plus 0.0 Semi-empirical 0.01107011070110701 Sorption 0.05227552275522755 Synthia 0.0012300123001230013 TURBOMOLE 0.0 VAMP 0.0012300123001230013 Visualization 0.9575645756457565 X-Cell 0.0 ZDOCK 0.056580565805658053

Year

2022 0.07303712720632989 2023 0.5465611685940353 2024 0.7814972611077298 2025 1.0 2026 0.2440657334144857 2027 0.0

Keywords

interaction 1.0 target 0.945385035499727 between 0.4041507373020208 docking 0.3705625341343528 potential 0.3151283451665756 analysis 0.2749863462588749 visualization 0.2405789186237029 binding 0.2206444565811032 protein 0.10759148006553795 energy 0.0890223921354451 mechanism 0.0843801201529219 novel 0.056526488257782635 cell 0.05352266521026761 stability 0.047515019115237575 activity 0.045603495357728015 drug 0.02184598580010923 including 0.019388312397596943 experimental 0.018569087930092845 complex 0.015565264882577826 development 0.011469142545057346 promising 0.008465319497542327 silico 0.006007646095030038 strong 0.005734571272528673 effective 0.0019115237575095577 therapeutic 0.0
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