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Application

Discovery Studio 1.0 Materials Studio 0.021809369951534735 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003169572107765452 Amorphous Cell 0.010036978341257264 CASTEP 0.0036978341257263604 CDOCKER 0.21711568938193343 CHARMm 0.39619651347068147 COMPASS 0.011093502377179081 COMPASS III 0.002641310089804543 COSMObase 0.0 COSMOconf 5.282620179609086E-4 COSMOquick 0.0 COSMOtherm 0.007395668251452721 Catalyst 0.14896988906497624 Classical Simulations 0.4252509244585314 Crystallization 0.0036978341257263604 DFTB Plus 5.282620179609086E-4 DMol3 0.00792393026941363 DPD 5.282620179609086E-4 Forcite 0.020073956682514528 GULP 5.282620179609086E-4 LUDI 0.007395668251452721 LibDock 0.10195456946645536 LigandFit 0.004226096143687269 MCSS 0.0 MODELER 0.34178552562070785 Mesocite 5.282620179609086E-4 Mesoscale 0.0010565240359218173 Polymorph 0.0 Quantum Mechanics 0.012150026413100899 Reflex 0.003169572107765452 Semi-empirical 5.282620179609086E-4 Sorption 0.0010565240359218173 Visualization 1.0 X-Cell 0.0 ZDOCK 0.06075013206550449

Year

2022 0.034482758620689655 2023 0.7234748010610079 2024 1.0 2025 0.6956233421750663 2026 0.0

Keywords

protein 1.0 target 0.9709320695102686 docking 0.5974723538704582 potential 0.46477093206951026 visualization 0.3889415481832543 binding 0.32796208530805687 analysis 0.3276461295418641 activity 0.13965244865718798 novel 0.12575039494470774 interaction 0.11216429699842022 between 0.10205371248025276 drug 0.09984202211690363 silico 0.09541864139020537 therapeutic 0.07582938388625593 stability 0.06382306477093207 treatment 0.05971563981042654 vitro 0.05845181674565561 promising 0.051500789889415484 compound 0.04265402843601896 development 0.03696682464454976 role 0.03317535545023697 inhibition 0.02401263823064771 including 0.022748815165876776 binding affinity 0.021169036334913113 effective 0.0
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