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Application

Discovery Studio 1.0 Materials Studio 0.8352713178294574 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04873294346978557 Amorphous Cell 0.25795971410006496 Blends 0.0 CASTEP 0.2787524366471735 CDOCKER 0.18908382066276802 CHARMm 0.30214424951267055 COMPASS 0.3235867446393762 COMPASS III 0.1046133853151397 COSMObase 0.004548408057179987 COSMOconf 0.007147498375568551 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 6.49772579597141E-4 COSMOquick 6.49772579597141E-4 COSMOtherm 0.06237816764132553 Catalyst 0.08447043534762833 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07537361923326835 DFTB Plus 0.005198180636777128 DMol3 0.13775178687459388 DPD 6.49772579597141E-4 Discover 0.001949317738791423 Forcite 0.49902534113060426 GULP 0.016244314489928524 Kinetix 0.0 LUDI 0.003898635477582846 LibDock 0.07797270955165692 LigandFit 0.003898635477582846 MODELER 0.2871994801819363 Mesocite 0.001949317738791423 Mesoscale 0.003248862897985705 Morphology 0.017543859649122806 ONETEP 6.49772579597141E-4 Polymorph 0.002599090318388564 QMERA 0.0 Quantum Mechanics 0.4106562703053931 Reflex 0.05263157894736842 Reflex Plus 6.49772579597141E-4 Semi-empirical 0.00649772579597141 Sorption 0.06432748538011696 Synthia 6.49772579597141E-4 VAMP 0.0 Visualization 0.7439896036387265 X-Cell 6.49772579597141E-4 ZDOCK 0.02794022092267706

Year

2024 0.20515518148342976 2025 1.0 2026 0.9326670173592846 2027 0.0

Keywords

target 1.0 potential 0.34461235216819974 docking 0.2568988173455979 analysis 0.24178712220762155 visualization 0.18429697766097242 between 0.13567674113009198 promising 0.09724047306176084 novel 0.09526938239159001 binding 0.08672798948751642 energy 0.0614323258869908 cell 0.05551905387647832 activity 0.04993429697766097 stability 0.03745072273324573 including 0.03055190538764783 performance 0.018725361366622863 synthesized 0.0164257555847569 effective 0.013797634691195795 strong 0.012483574244415242 development 0.011169513797634692 protein 0.008869908015768726 strategy 0.006241787122207621 synthesis 0.005584756898817346 therapeutic 0.005256241787122208 mechanism 0.0045992115637319315 interaction 0.0
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