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Application

Discovery Studio 1.0 Materials Studio 0.7500834167500834 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0558472553699284 Amorphous Cell 0.2515513126491647 Blends 0.002863961813842482 CASTEP 0.2730310262529833 CDOCKER 0.19665871121718376 CHARMm 0.3284009546539379 COMPASS 0.3116945107398568 COMPASS III 0.09785202863961814 COSMObase 0.003341288782816229 COSMOconf 0.005250596658711217 COSMOmic 0.0 COSMOperm 9.546539379474941E-4 COSMOquick 0.0 COSMOtherm 0.056801909307875896 Catalyst 0.09307875894988067 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06587112171837708 DFTB Plus 9.546539379474941E-4 DMol3 0.12124105011933174 DPD 0.0019093078758949881 Discover 0.00477326968973747 Forcite 0.48496420047732697 GULP 0.011455847255369928 Kinetix 0.0 LUDI 0.00477326968973747 LibDock 0.08400954653937948 LigandFit 0.003341288782816229 MODELER 0.29498806682577566 MesoDyn 0.0 Mesocite 0.002863961813842482 Mesoscale 0.00477326968973747 Morphology 0.013842482100238664 ONETEP 9.546539379474941E-4 Polymorph 0.0019093078758949881 QMERA 0.0 QSAR 4.7732696897374703E-4 Quantum Mechanics 0.3880668257756563 Reflex 0.0486873508353222 Reflex Plus 0.0 Semi-empirical 0.0019093078758949881 Sorption 0.050119331742243436 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7751789976133652 X-Cell 0.001431980906921241 ZDOCK 0.03532219570405728

Year

2024 0.20182815356489944 2025 1.0 2026 0.8413162705667276 2027 0.0

Keywords

target 1.0 potential 0.34117921230482406 docking 0.27988813796317874 analysis 0.23747378233512 visualization 0.18876718713586577 between 0.12537869960382195 binding 0.10556979725005826 novel 0.10254020041948264 promising 0.09718014448846422 activity 0.06595199254253088 cell 0.05266837567000699 stability 0.03495688650664181 energy 0.03379165695642041 strong 0.03192728967606619 therapeutic 0.026800279655092053 including 0.026334187835003495 development 0.01817758098345374 effective 0.01654625961314379 protein 0.01281752505243533 synthesized 0.0109531577720811 performance 0.008156606851549755 mechanism 0.0074574691214169195 enhanced 0.006059193661151247 interaction 0.0020974131903985084 synthesis 0.0
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