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Application

Discovery Studio 1.0 Materials Studio 0.9067640520800254 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06435508759190342 Amorphous Cell 0.27366796768630297 Antibody 0.0 Blends 0.0025415267314150857 CASTEP 0.3983843151493147 CDOCKER 0.18671144594717254 CHARMm 0.2762094944177181 COMPASS 0.36017064536625215 COMPASS III 0.07551965144776254 COSMObase 0.002995370790596351 COSMOconf 0.003812290097122629 COSMOmic 9.076881183625306E-5 COSMOperm 0.001361532177543796 COSMOplex 2.723064355087592E-4 COSMOquick 0.001452300989380049 COSMOtherm 0.06535354452210221 Cantera 9.076881183625306E-5 Catalyst 0.12961786330216937 Classical Simulations 1.0 Conformers 0.0010892257420350368 Crystallization 0.07325043115185623 DFTB Plus 0.006535354452210221 DMol3 0.18008532268312608 DPD 0.002995370790596351 Discover 0.0044476717799764 Forcite 0.5194699101388763 GULP 0.025324498502314604 Kinetix 1.8153762367250612E-4 LUDI 0.005809203957520196 LibDock 0.07579195788327131 LigandFit 0.00771534900608151 MCSS 0.001361532177543796 MODELER 0.20486520831442318 MesoDyn 0.0016338386130525552 Mesocite 0.0036307524734501225 Mesoscale 0.007261504946900245 Modules 0.0 Morphology 0.017972224743578107 ONETEP 9.984569301987837E-4 Polymorph 0.0019061450485613144 QMERA 9.076881183625306E-5 QSAR 0.001452300989380049 Quantum Mechanics 0.5669419987292367 Reflex 0.053008986112371786 Reflex Plus 7.261504946900245E-4 Semi-empirical 0.00862303712444404 Sorption 0.05409821185440682 Synthia 0.001543069801216302 TURBOMOLE 6.353816828537714E-4 VAMP 0.0018153762367250613 Visualization 0.9149496233094309 X-Cell 0.0011799945538712897 ZDOCK 0.031315240083507306

Year

2020 0.059018201875344733 2021 0.13908806765949622 2022 0.17163081448795733 2023 0.4543114543114543 2024 0.8122816694245266 2025 1.0 2026 0.32156646442360726 2027 0.0

Keywords

target 1.0 potential 0.257076316732354 docking 0.21755643138659977 visualization 0.20809745610892152 analysis 0.17112146184163382 between 0.1393049086348979 novel 0.09806520960229309 binding 0.07151558581153708 energy 0.06990326048011465 activity 0.055069867431028305 cell 0.05152275170189896 promising 0.043891078466499464 interaction 0.034897886062343245 synthesized 0.02884270870655679 protein 0.023575779290576856 experimental 0.02268004299534217 stability 0.02149767108563239 development 0.016051594410605517 mechanism 0.014725904693658186 synthesis 0.01454675743461125 effective 0.012504478681476174 including 0.00867072733787173 performance 0.008491580078824794 chemical 0.0011107130060910068 design 0.0
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