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Application

Discovery Studio 1.0 Materials Studio 0.7229254571026723 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10648148148148148 Amorphous Cell 0.13194444444444445 Blends 0.0 CASTEP 0.2986111111111111 CDOCKER 0.2013888888888889 CHARMm 0.2708333333333333 COMPASS 0.2777777777777778 COMPASS III 0.05555555555555555 COSMOconf 0.0 COSMOquick 0.0 COSMOtherm 0.034722222222222224 Catalyst 0.3101851851851852 Classical Simulations 0.8819444444444444 Crystallization 0.12962962962962962 DMol3 0.1388888888888889 Forcite 0.41203703703703703 GULP 0.009259259259259259 LUDI 0.004629629629629629 LibDock 0.0787037037037037 LigandFit 0.0 MCSS 0.0023148148148148147 MODELER 0.15046296296296297 Mesocite 0.0 Mesoscale 0.0 Morphology 0.018518518518518517 QSAR 0.0 Quantum Mechanics 0.44212962962962965 Reflex 0.1087962962962963 Reflex Plus 0.0 Sorption 0.034722222222222224 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.0023148148148148147 ZDOCK 0.0023148148148148147

Year

2023 0.004885993485342019 2024 0.6368078175895765 2025 1.0 2026 0.43485342019543977 2027 0.0

Keywords

synthesized 1.0 target 0.9477124183006536 docking 0.3464052287581699 synthesis 0.33239962651727356 potential 0.30532212885154064 novel 0.2661064425770308 visualization 0.21288515406162464 analysis 0.17553688141923435 compound 0.15592903828197946 promising 0.12885154061624648 activity 0.11017740429505135 binding 0.09803921568627451 between 0.07376283846872082 design 0.06629318394024276 inhibition 0.05415499533146592 potent 0.05042016806722689 designed 0.03828197945845005 vitro 0.03828197945845005 effective 0.03081232492997199 experimental 0.01680672268907563 strong 0.009337068160597572 silico 0.007469654528478058 cell 0.0018674136321195146 energy 9.337068160597573E-4 development 0.0
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