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Application

Discovery Studio 1.0 Materials Studio 0.4605190502484815 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05110220440881764 Amorphous Cell 0.1492985971943888 Blends 0.0 CASTEP 0.3316633266533066 CDOCKER 0.19939879759519039 CHARMm 0.37374749498997994 COMPASS 0.18236472945891782 COMPASS III 0.05911823647294589 COSMObase 0.004008016032064128 COSMOconf 0.004008016032064128 COSMOmic 0.0 COSMOperm 0.0 COSMOtherm 0.05511022044088176 Catalyst 0.11823647294589178 Classical Simulations 0.7805611222444889 Conformers 0.0 Crystallization 0.03006012024048096 DFTB Plus 0.004008016032064128 DMol3 0.11623246492985972 Discover 0.0 Forcite 0.2905811623246493 GULP 0.01603206412825651 LUDI 0.00501002004008016 LibDock 0.10220440881763528 LigandFit 0.003006012024048096 MODELER 0.3557114228456914 Mesocite 0.002004008016032064 Mesoscale 0.002004008016032064 Modules 0.0 Morphology 0.009018036072144289 Polymorph 0.0 QMERA 0.0 QSAR 0.001002004008016032 Quantum Mechanics 0.43887775551102204 Reflex 0.018036072144288578 Reflex Plus 0.001002004008016032 Semi-empirical 0.00501002004008016 Sorption 0.02404809619238477 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03006012024048096

Year

2023 0.0 2024 0.6641091219096334 2025 1.0 2026 0.2659846547314578

Keywords

analysis 1.0 target 0.926963906581741 potential 0.42038216560509556 docking 0.41358811040339705 visualization 0.23312101910828026 binding 0.1524416135881104 between 0.14692144373673036 promising 0.0781316348195329 novel 0.07218683651804671 activity 0.06709129511677282 stability 0.06666666666666667 protein 0.06581740976645435 including 0.05774946921443737 silico 0.0505307855626327 interaction 0.04883227176220807 therapeutic 0.03397027600849257 energy 0.026326963906581742 vitro 0.0237791932059448 drug 0.01740976645435244 mechanism 0.014437367303609342 strong 0.011040339702760084 treatment 0.008492569002123142 experimental 0.0059447983014862 inhibition 0.003821656050955414 effective 0.0
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