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Application

Discovery Studio 1.0 Materials Studio 0.7707817474354439 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04982733103108041 Amorphous Cell 0.2565367538233843 Blends 0.00246669955599408 CASTEP 0.2501233349777997 CDOCKER 0.1973359644795264 CHARMm 0.31425752343364577 COMPASS 0.3177109028120375 COMPASS III 0.10754810064134189 COSMObase 0.00246669955599408 COSMOconf 0.006413418845584608 COSMOmic 0.0 COSMOperm 4.93339911198816E-4 COSMOplex 4.93339911198816E-4 COSMOtherm 0.056240749876665025 Catalyst 0.0897878638381845 Classical Simulations 1.0 Conformers 4.93339911198816E-4 Crystallization 0.07301430685742477 DFTB Plus 0.001973359644795264 DMol3 0.11692155895411939 DPD 0.0014800197335964479 Discover 0.003946719289590528 Forcite 0.4977799703996053 GULP 0.010360138135175136 Kinetix 0.0 LUDI 0.004440059200789344 LibDock 0.08386778490379872 LigandFit 0.004440059200789344 MODELER 0.2920572274296991 Mesocite 0.003946719289590528 Mesoscale 0.00493339911198816 Morphology 0.016280217069560926 ONETEP 9.86679822397632E-4 Polymorph 0.001973359644795264 QMERA 0.0 Quantum Mechanics 0.3635915145535274 Reflex 0.053280710409472125 Reflex Plus 0.0 Semi-empirical 0.0029600394671928957 Sorption 0.05673408978786384 Synthia 9.86679822397632E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7567834237789837 X-Cell 0.0014800197335964479 ZDOCK 0.034040453872718306

Year

2024 0.0628862231915667 2025 1.0 2026 0.8753180661577609 2027 0.0

Keywords

target 1.0 potential 0.33992673992673994 docking 0.26495726495726496 analysis 0.22979242979242978 visualization 0.18192918192918192 between 0.12136752136752137 novel 0.09743589743589744 promising 0.09426129426129426 binding 0.09401709401709402 activity 0.06056166056166056 cell 0.050061050061050064 stability 0.0336996336996337 energy 0.03223443223443224 strong 0.030525030525030524 including 0.030036630036630037 therapeutic 0.021001221001221003 development 0.01978021978021978 mechanism 0.010500610500610501 performance 0.010500610500610501 effective 0.008547008547008548 protein 0.00757020757020757 synthesized 0.005372405372405372 strategy 0.002197802197802198 enhanced 2.442002442002442E-4 interaction 0.0
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