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Application

Discovery Studio 1.0 Materials Studio 0.9379574764726385 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0579742336739227 Amorphous Cell 0.27543314082629944 Blends 0.0019991115059973343 CASTEP 0.32030208796090626 CDOCKER 0.17658818302976456 CHARMm 0.282985339848956 COMPASS 0.33318525099955576 COMPASS III 0.10506441581519324 COSMObase 0.0046645935139937806 COSMOconf 0.005775211017325633 COSMOmic 0.0 COSMOperm 4.44247001332741E-4 COSMOplex 2.221235006663705E-4 COSMOquick 6.663705019991116E-4 COSMOtherm 0.06374944469124834 Catalyst 0.08307418924922257 Classical Simulations 1.0 Conformers 4.44247001332741E-4 Crystallization 0.07174589071523767 DFTB Plus 0.0037760995113282985 DMol3 0.14815637494446912 DPD 0.0024433585073300756 Discover 0.00444247001332741 Forcite 0.5153265215459796 GULP 0.0173256330519769 Kinetix 2.221235006663705E-4 LUDI 0.004220346512661039 LibDock 0.07441137272323411 LigandFit 0.00444247001332741 MCSS 2.221235006663705E-4 MODELER 0.2643269657929809 MesoDyn 6.663705019991116E-4 Mesocite 0.003109729009329187 Mesoscale 0.0059973345179920035 Modules 0.0 Morphology 0.016437139049311416 ONETEP 8.88494002665482E-4 Polymorph 0.0019991115059973343 QMERA 2.221235006663705E-4 QSAR 4.44247001332741E-4 Quantum Mechanics 0.4597956463793869 Reflex 0.0519768991559307 Reflex Plus 8.88494002665482E-4 Semi-empirical 0.0053309640159928924 Sorption 0.055752998667258996 Synthia 0.0011106175033318525 TURBOMOLE 0.0 VAMP 8.88494002665482E-4 Visualization 0.7256774766770324 X-Cell 0.0013327410039982231 ZDOCK 0.029320302087960905

Year

2023 0.0 2024 0.4431880357468539 2025 1.0 2026 0.7484953492613533 2027 0.001823819077147547

Keywords

target 1.0 potential 0.31090017064846415 docking 0.23570819112627986 analysis 0.2224829351535836 visualization 0.1717150170648464 between 0.14398464163822525 novel 0.09737627986348123 promising 0.08969709897610921 binding 0.0810580204778157 energy 0.06943259385665529 cell 0.060580204778156996 activity 0.05386092150170649 stability 0.04234215017064846 performance 0.03444965870307167 including 0.024104095563139933 development 0.0195179180887372 synthesized 0.01877133105802048 effective 0.016851535836177475 mechanism 0.014931740614334471 experimental 0.010878839590443687 strong 0.01034556313993174 enhanced 0.009598976109215018 interaction 0.008319112627986349 protein 0.006505972696245733 synthesis 0.0
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