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Application

Discovery Studio 1.0 Materials Studio 0.5442834138486312 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.038461538461538464 Amorphous Cell 0.2336182336182336 Blends 0.0 CASTEP 0.23076923076923078 CDOCKER 0.28205128205128205 CHARMm 0.4287749287749288 COMPASS 0.2621082621082621 COMPASS III 0.07692307692307693 COSMObase 0.0 COSMOconf 0.002849002849002849 COSMOmic 0.0 COSMOperm 0.0014245014245014246 COSMOplex 0.0 COSMOquick 0.007122507122507123 COSMOtherm 0.05413105413105413 Catalyst 0.14245014245014245 Classical Simulations 1.0 Crystallization 0.05698005698005698 DFTB Plus 0.0014245014245014246 DMol3 0.150997150997151 Discover 0.0 Forcite 0.41595441595441596 GULP 0.01282051282051282 LUDI 0.009971509971509971 LibDock 0.12108262108262108 LigandFit 0.011396011396011397 MCSS 0.0 MODELER 0.3817663817663818 MesoDyn 0.0 Mesocite 0.0014245014245014246 Mesoscale 0.002849002849002849 Morphology 0.01566951566951567 ONETEP 0.002849002849002849 Polymorph 0.0 QSAR 0.0014245014245014246 Quantum Mechanics 0.37606837606837606 Reflex 0.038461538461538464 Reflex Plus 0.0 Semi-empirical 0.0014245014245014246 Sorption 0.039886039886039885 Synthia 0.0 Visualization 0.8333333333333334 X-Cell 0.0 ZDOCK 0.04843304843304843

Year

2023 0.0 2024 0.5223300970873787 2025 1.0 2026 0.4621359223300971

Keywords

development 1.0 target 0.9346674514420247 potential 0.38434373160682755 docking 0.2731018246027075 novel 0.23366686286050617 analysis 0.2113007651559741 promising 0.15303119482048264 visualization 0.14302530900529722 binding 0.10653325485579752 between 0.10241318422601531 activity 0.075927015891701 therapeutic 0.062978222483814 effective 0.050029429075927015 design 0.04532077692760447 cell 0.032371983519717484 protein 0.02942907592701589 including 0.028840494408475574 stability 0.022954679223072396 compound 0.01059446733372572 drug 0.007062978222483814 treatment 0.005885815185403178 inhibition 0.0017657445556209534 interaction 0.0017657445556209534 strong 0.0011771630370806356 mechanism 0.0
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