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Application

Discovery Studio 0.9898762654668166 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06174496644295302 Amorphous Cell 0.276510067114094 Blends 0.0020134228187919465 CASTEP 0.312751677852349 CDOCKER 0.16174496644295303 CHARMm 0.2644295302013423 COMPASS 0.33557046979865773 COMPASS III 0.11140939597315436 COSMObase 0.003355704697986577 COSMOconf 0.005369127516778523 COSMOmic 0.0 COSMOperm 6.711409395973154E-4 COSMOplex 0.0 COSMOquick 0.0 COSMOtherm 0.06308724832214765 Catalyst 0.0691275167785235 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07516778523489932 DFTB Plus 0.0013422818791946308 DMol3 0.138255033557047 DPD 0.0020134228187919465 Discover 0.0026845637583892616 Forcite 0.5248322147651007 GULP 0.012080536912751677 LUDI 0.003355704697986577 LibDock 0.06375838926174497 LigandFit 0.0026845637583892616 MODELER 0.2436241610738255 Mesocite 0.004026845637583893 Mesoscale 0.006711409395973154 Morphology 0.018120805369127517 ONETEP 6.711409395973154E-4 Polymorph 0.0 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4463087248322148 Reflex 0.05503355704697987 Reflex Plus 0.0 Semi-empirical 0.003355704697986577 Sorption 0.05100671140939597 Synthia 6.711409395973154E-4 TURBOMOLE 0.0 VAMP 6.711409395973154E-4 Visualization 0.687248322147651 X-Cell 6.711409395973154E-4 ZDOCK 0.024832214765100672

Year

2024 0.1045182362547632 2025 1.0 2026 0.9793140990745781 2027 0.0

Keywords

target 1.0 potential 0.32469352014010505 docking 0.23047285464098075 analysis 0.23012259194395795 visualization 0.17653239929947462 between 0.14395796847635728 promising 0.09562171628721541 novel 0.08791593695271453 binding 0.07915936952714536 cell 0.07145359019264448 energy 0.06900175131348511 stability 0.05499124343257443 activity 0.053590192644483364 performance 0.044133099824868655 strong 0.028371278458844133 including 0.02626970227670753 enhanced 0.02416812609457093 mechanism 0.021015761821366025 effective 0.019964973730297722 development 0.019614711033274956 synthesized 0.01576182136602452 strategy 0.015411558669001752 design 0.00840630472854641 interaction 0.007705779334500876 experimental 0.0
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