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Application

Discovery Studio 0.8399277751609358 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06955227055195151 Amorphous Cell 0.29086461767521005 Blends 0.0025523769009890463 CASTEP 0.40348824843135167 CDOCKER 0.1473997660321174 CHARMm 0.23173455280229713 COMPASS 0.37307242369456556 COMPASS III 0.08656811655854514 COSMObase 0.0036158672764011485 COSMOconf 0.00446665957673083 COSMOmic 2.126980750824205E-4 COSMOperm 0.0013825374880357332 COSMOplex 3.190471126236308E-4 COSMOquick 0.0013825374880357332 COSMOtherm 0.06497926193767946 Cantera 0.0 Catalyst 0.10326491545251515 Classical Simulations 1.0 Conformers 8.50792300329682E-4 Crystallization 0.07518876954163564 DFTB Plus 0.005849197064766564 DMol3 0.18079336382005742 DPD 0.002871424013612677 Discover 0.003828565351483569 Forcite 0.5560991173029884 GULP 0.02477932574710199 Kinetix 2.126980750824205E-4 LUDI 0.0035095182388599384 LibDock 0.06285228118685526 LigandFit 0.004573008614272041 MCSS 4.25396150164841E-4 MODELER 0.18717430607253005 MesoDyn 8.50792300329682E-4 Mesocite 0.0037222163139423586 Mesoscale 0.006699989365096246 Modules 0.0 Morphology 0.017547591194299692 ONETEP 0.0011698394129533128 Polymorph 0.002020631713282995 QMERA 2.126980750824205E-4 QSAR 9.571413378708923E-4 Quantum Mechanics 0.573114963309582 Reflex 0.0549824524088057 Reflex Plus 9.571413378708923E-4 Semi-empirical 0.007657130702967138 Sorption 0.05753482930979475 Synthia 0.0013825374880357332 TURBOMOLE 5.317451877060512E-4 VAMP 0.0013825374880357332 Visualization 0.7265766244815485 X-Cell 0.0013825374880357332 ZDOCK 0.02626821227267893

Year

2022 0.05977032281399765 2023 0.20535310606745638 2024 0.6363143141332851 2025 1.0 2026 0.3843023781535401 2027 0.0

Keywords

target 1.0 potential 0.27357295928307035 analysis 0.19106760179232418 docking 0.19062926164036625 visualization 0.172024157412819 between 0.15940970192869666 energy 0.09872394311318917 novel 0.09497369959088252 cell 0.06838106370543542 promising 0.06312098188194039 binding 0.05946814728229106 activity 0.04208065458796026 stability 0.04120397428404442 performance 0.04100915643872979 experimental 0.03311903370348724 interaction 0.0297097214104812 synthesized 0.0259107734268459 effective 0.021283849600623416 mechanism 0.02079680498733684 including 0.017338788233002143 development 0.016851743619715566 synthesis 0.004334697058250536 protein 0.0014611338398597311 design 5.357490746152347E-4 enhanced 0.0
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