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Application

Discovery Studio 1.0 Materials Studio 0.9738307349665924 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05585464333781965 Amorphous Cell 0.2691790040376851 Blends 0.0013458950201884253 CASTEP 0.29878869448183043 CDOCKER 0.17631224764468373 CHARMm 0.2765814266487214 COMPASS 0.34589502018842533 COMPASS III 0.1009421265141319 COSMObase 0.005383580080753701 COSMOconf 0.006056527590847914 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 6.729475100942127E-4 COSMOtherm 0.06056527590847914 Catalyst 0.07469717362045761 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0740242261103634 DFTB Plus 0.004037685060565276 DMol3 0.14333781965006728 DPD 0.0013458950201884253 Discover 0.006056527590847914 Forcite 0.5161507402422612 GULP 0.016823687752355317 Kinetix 0.0 LUDI 0.004037685060565276 LibDock 0.07604306864064603 LigandFit 0.0033647375504710633 MODELER 0.27388963660834453 Mesocite 0.002018842530282638 Mesoscale 0.0026917900403768506 Morphology 0.01547779273216689 ONETEP 0.0 Polymorph 0.004710632570659489 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4327052489905787 Reflex 0.051816958277254375 Reflex Plus 6.729475100942127E-4 Semi-empirical 0.004710632570659489 Sorption 0.06662180349932706 Synthia 0.0 Visualization 0.6662180349932705 X-Cell 0.002018842530282638 ZDOCK 0.031628532974428

Year

2024 0.09293478260869566 2025 1.0 2026 0.9766304347826087 2027 0.0

Keywords

target 1.0 potential 0.3363957597173145 analysis 0.24381625441696114 docking 0.2392226148409894 visualization 0.15795053003533568 between 0.1303886925795053 promising 0.10671378091872792 novel 0.10318021201413427 binding 0.09081272084805654 energy 0.07703180212014134 cell 0.05724381625441696 activity 0.04982332155477032 stability 0.04169611307420495 strong 0.038869257950530034 including 0.03745583038869258 performance 0.037102473498233215 effective 0.02120141342756184 enhanced 0.014840989399293287 experimental 0.013780918727915195 development 0.012720848056537103 therapeutic 0.011660777385159011 synthesized 0.009893992932862191 strategy 0.009187279151943463 mechanism 0.0049469964664310955 design 0.0
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