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Application

Discovery Studio 0.8804511278195488 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06209453197405004 Amorphous Cell 0.2829780661105962 Blends 0.002162496138399753 CASTEP 0.321285140562249 CDOCKER 0.15508186592523943 CHARMm 0.24899598393574296 COMPASS 0.34754402224281744 COMPASS III 0.10812480691998765 COSMObase 0.005251776336113685 COSMOconf 0.006178560395427865 COSMOmic 0.0 COSMOperm 6.178560395427865E-4 COSMOplex 3.0892801977139327E-4 COSMOquick 6.178560395427865E-4 COSMOtherm 0.06703738029039234 Catalyst 0.0732159406858202 Classical Simulations 1.0 Conformers 6.178560395427865E-4 Crystallization 0.0778498609823911 DFTB Plus 0.0030892801977139327 DMol3 0.15106580166821132 DPD 0.002471424158171146 Discover 0.004633920296570899 Forcite 0.5381526104417671 GULP 0.01606425702811245 Kinetix 0.0 LUDI 0.003398208217485326 LibDock 0.061167747914735865 LigandFit 0.0030892801977139327 MODELER 0.23107815878900217 Mesocite 0.0030892801977139327 Mesoscale 0.005251776336113685 Morphology 0.01791782514674081 ONETEP 9.267840593141798E-4 Polymorph 0.002471424158171146 QMERA 3.0892801977139327E-4 QSAR 3.0892801977139327E-4 Quantum Mechanics 0.4652455977757183 Reflex 0.05622489959839357 Reflex Plus 6.178560395427865E-4 Semi-empirical 0.004942848316342292 Sorption 0.060240963855421686 Synthia 6.178560395427865E-4 TURBOMOLE 0.0 VAMP 9.267840593141798E-4 Visualization 0.6336113685511275 X-Cell 0.0015446400988569664 ZDOCK 0.02564102564102564

Year

2024 0.14921052631578946 2025 1.0 2026 0.995 2027 0.0

Keywords

target 1.0 potential 0.3048465266558966 analysis 0.22504038772213247 docking 0.208562197092084 visualization 0.15315024232633279 between 0.14539579967689822 promising 0.09903069466882068 novel 0.08933764135702746 energy 0.08901453957996769 cell 0.07172859450726979 binding 0.07140549273021002 performance 0.0579967689822294 stability 0.05137318255250404 activity 0.04474959612277868 strong 0.031017770597738286 including 0.027463651050080775 enhanced 0.02568659127625202 effective 0.021163166397415185 experimental 0.020678513731825526 strategy 0.017932148626817447 development 0.016639741518578353 synthesized 0.016478190630048465 mechanism 0.015508885298869143 design 0.008239095315024232 interaction 0.0
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