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Application

Discovery Studio 0.9321417752196304 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07029478458049887 Amorphous Cell 0.28835978835978837 Blends 0.0022675736961451248 CASTEP 0.34996220710506426 CDOCKER 0.15608465608465608 CHARMm 0.2581254724111867 COMPASS 0.3424036281179138 COMPASS III 0.10090702947845805 COSMObase 0.0041572184429327285 COSMOconf 0.005668934240362812 COSMOperm 3.779289493575208E-4 COSMOquick 0.0011337868480725624 COSMOtherm 0.06273620559334846 Catalyst 0.07369614512471655 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06840513983371126 DFTB Plus 0.0015117157974300832 DMol3 0.15268329554043839 DPD 0.0015117157974300832 Discover 0.005291005291005291 Forcite 0.5309901738473167 GULP 0.02040816326530612 LUDI 0.0041572184429327285 LibDock 0.0672713529856387 LigandFit 0.003779289493575208 MCSS 7.558578987150416E-4 MODELER 0.24300831443688586 MesoDyn 0.0011337868480725624 Mesocite 0.0030234315948601664 Mesoscale 0.005668934240362812 Morphology 0.015495086923658353 ONETEP 0.0 Polymorph 0.0011337868480725624 QMERA 0.0 QSAR 7.558578987150416E-4 Quantum Mechanics 0.49206349206349204 Reflex 0.05102040816326531 Reflex Plus 0.0 Semi-empirical 0.003401360544217687 Sorption 0.05026455026455026 Synthia 3.779289493575208E-4 TURBOMOLE 3.779289493575208E-4 VAMP 0.0011337868480725624 Visualization 0.6791383219954649 X-Cell 0.001889644746787604 ZDOCK 0.030990173847316706

Year

2024 0.43710597418192737 2025 1.0 2026 0.63434404082858 2027 0.0

Keywords

target 1.0 potential 0.29859206436277197 analysis 0.20972755531175719 docking 0.2082647650393125 visualization 0.1568842567196928 between 0.1534101298226367 novel 0.09599561162918267 promising 0.0811848601206802 energy 0.07917352349606875 binding 0.07094532821356737 cell 0.06491131833973304 activity 0.045895044797952096 performance 0.04077527884439568 stability 0.04004388370817334 including 0.02121045895044798 experimental 0.018650575973669776 strong 0.016456390565002744 mechanism 0.01609069299689157 effective 0.015907844212835986 development 0.015359297860669226 enhanced 0.01389650758822454 interaction 0.010239531907112819 synthesized 0.008959590418723715 design 0.006765405010056683 protein 0.0
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