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Application

Discovery Studio 1.0 Materials Studio 0.9142857142857143 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09284951974386339 Amorphous Cell 0.2305229455709712 Blends 0.0010672358591248667 CASTEP 0.29882604055496265 CDOCKER 0.16862326574172892 CHARMm 0.27961579509071505 COMPASS 0.3617929562433298 COMPASS III 0.06830309498399147 COSMOconf 0.0032017075773745998 COSMOquick 0.0021344717182497333 COSMOtherm 0.048025613660619 Catalyst 0.13980789754535752 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.04909284951974386 DFTB Plus 0.0010672358591248667 DMol3 0.20490928495197439 DPD 0.0021344717182497333 Discover 0.0021344717182497333 Forcite 0.5346851654215582 GULP 0.010672358591248666 Kinetix 0.0 LUDI 0.008537886872998933 LibDock 0.06616862326574173 LigandFit 0.004268943436499467 MODELER 0.18463180362860193 Mesocite 0.0010672358591248667 Mesoscale 0.004268943436499467 Morphology 0.010672358591248666 ONETEP 0.0 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.49306296691568835 Reflex 0.03735325506937033 Semi-empirical 0.0032017075773745998 Sorption 0.04695837780149413 TURBOMOLE 0.0 VAMP 0.0010672358591248667 Visualization 0.823906083244397 ZDOCK 0.02454642475987193

Year

2021 0.0 2022 0.22544080604534006 2023 0.28337531486146095 2024 0.9609571788413098 2025 1.0 2026 0.30100755667506296

Keywords

effective 1.0 target 0.9504904250350303 potential 0.31247080803362914 docking 0.2125175151798225 analysis 0.1835590845399346 visualization 0.1662774404483886 between 0.12517515179822514 novel 0.11163007940214853 promising 0.07006071929005138 activity 0.058383932741709485 binding 0.05558150397010743 energy 0.05558150397010743 development 0.044371788883699206 treatment 0.03362914525922466 cell 0.028958430639887903 interaction 0.02475478748248482 synthesized 0.02008407286314806 performance 0.0135450723960766 stability 0.012143858010275572 protein 0.010275572162540868 strategy 0.007006071929005138 including 0.005137786081270434 inhibition 0.004203643157403083 drug 4.6707146193367583E-4 experimental 0.0
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