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Application

Discovery Studio 1.0 Materials Studio 0.26587301587301587 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.034241245136186774 Amorphous Cell 0.08560311284046693 Blends 0.0 CASTEP 0.1828793774319066 CDOCKER 0.24280155642023346 CHARMm 0.42412451361867703 COMPASS 0.14163424124513618 COMPASS III 0.036575875486381325 COSMObase 7.782101167315176E-4 COSMOconf 0.0031128404669260703 COSMOtherm 0.03268482490272374 Catalyst 0.11595330739299611 Classical Simulations 0.7035019455252919 Crystallization 0.023346303501945526 DFTB Plus 0.0 DMol3 0.0754863813229572 Discover 0.0023346303501945525 Forcite 0.18754863813229572 GULP 0.005447470817120622 Kinetix 0.0 LUDI 0.007782101167315175 LibDock 0.10894941634241245 LigandFit 0.004669260700389105 MCSS 0.0 MODELER 0.38132295719844356 Mesocite 7.782101167315176E-4 Mesoscale 7.782101167315176E-4 Morphology 0.0038910505836575876 Polymorph 0.0015564202334630351 QSAR 0.0 Quantum Mechanics 0.2529182879377432 Reflex 0.01634241245136187 Semi-empirical 7.782101167315176E-4 Sorption 0.01634241245136187 VAMP 0.0 Visualization 1.0 X-Cell 0.0015564202334630351 ZDOCK 0.036575875486381325

Year

2024 0.2720269619643717 2025 1.0 2026 0.32643235435724605 2027 0.0

Keywords

potential 1.0 target 0.9215041986126323 docking 0.4651332603139832 analysis 0.33187294633077763 visualization 0.25812340270171596 binding 0.1964220518437386 promising 0.16684921504198613 therapeutic 0.15224534501642936 novel 0.1380065717415115 activity 0.10478276743336984 between 0.08032128514056225 protein 0.0795910916392844 including 0.07484483388097846 silico 0.06498722161372764 strong 0.062066447608616286 vitro 0.05549470609711574 stability 0.04454180357794816 development 0.04308141657539248 inhibition 0.0397955458196422 treatment 0.03614457831325301 compound 0.03285870755750274 drug 0.02482657904344651 effective 0.012413289521723256 interaction 0.009492515516611903 synthesized 0.0
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