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Application

Discovery Studio 1.0 Materials Studio 0.9408182027120202 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.065286866534774 Amorphous Cell 0.27240907015674937 Blends 0.002282757571145944 CASTEP 0.35747983564145486 CDOCKER 0.17683761984477248 CHARMm 0.2826053873078679 COMPASS 0.3410439811292041 COMPASS III 0.08674478770354588 COSMObase 0.0035002282757571144 COSMOconf 0.004565515142291888 COSMOmic 0.0 COSMOperm 9.131030284583778E-4 COSMOplex 1.5218383807639628E-4 COSMOquick 0.0015218383807639629 COSMOtherm 0.06209100593516968 Cantera 0.0 Catalyst 0.11611626845229037 Classical Simulations 1.0 Conformers 9.131030284583778E-4 Crystallization 0.07335260995282301 DFTB Plus 0.004565515142291888 DMol3 0.1602495814944453 DPD 0.0028914929234515295 Discover 0.0035002282757571144 Forcite 0.5174250494597473 GULP 0.02084918581646629 Kinetix 3.0436767615279255E-4 LUDI 0.00532643433267387 LibDock 0.07304824227667021 LigandFit 0.0054786181707502666 MCSS 7.609191903819814E-4 MODELER 0.21807943996347587 MesoDyn 9.131030284583778E-4 Mesocite 0.0035002282757571144 Mesoscale 0.006696088875361436 Modules 0.0 Morphology 0.017501141378785574 ONETEP 0.0012174707046111702 Polymorph 0.0015218383807639629 QMERA 0.0 QSAR 9.131030284583778E-4 Quantum Mechanics 0.5085983868513164 Reflex 0.0532643433267387 Reflex Plus 6.087353523055851E-4 Semi-empirical 0.006239537361132248 Sorption 0.05417744635519708 Synthia 9.131030284583778E-4 TURBOMOLE 6.087353523055851E-4 VAMP 0.0013696545426875666 Visualization 0.8015522751483792 X-Cell 0.0015218383807639629 ZDOCK 0.029675848424897275

Year

2022 0.028550148957298908 2023 0.2457795431976167 2024 0.5445630585898709 2025 1.0 2026 0.42986593843098314 2027 0.0

Keywords

target 1.0 potential 0.2814913280162046 docking 0.22173692872515507 analysis 0.19141663501709077 visualization 0.1861628054184074 between 0.1416635017090771 novel 0.100139258133941 binding 0.07975693125712116 energy 0.07614887960501329 promising 0.06690720344347385 cell 0.05943790353209267 activity 0.056083048487150275 stability 0.03816938853019369 interaction 0.030889986074186606 synthesized 0.030763387770603876 performance 0.0282947208507406 including 0.025066464109380935 protein 0.02386378022534498 effective 0.02323078870743132 experimental 0.021711609064438538 development 0.021458412457273073 mechanism 0.020445626028611216 synthesis 0.01791365995695658 design 0.005950120268388403 compound 0.0
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