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Application

Discovery Studio 1.0 Materials Studio 0.5483359746434231 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05160662122687439 Amorphous Cell 0.1966893865628043 Blends 0.0 CASTEP 0.2765335929892892 CDOCKER 0.33982473222979553 CHARMm 0.4225900681596884 COMPASS 0.2891918208373905 COMPASS III 0.07400194741966894 COSMObase 9.737098344693282E-4 COSMOperm 0.0 COSMOquick 9.737098344693282E-4 COSMOtherm 0.04089581304771178 Catalyst 0.1976630963972736 Classical Simulations 1.0 Crystallization 0.05063291139240506 DMol3 0.13437195715676728 DPD 0.0019474196689386564 Discover 0.0 Forcite 0.41674780915287246 GULP 0.005842259006815969 LUDI 0.008763388510223954 LibDock 0.12366114897760468 LigandFit 0.008763388510223954 MCSS 0.0 MODELER 0.38364167478091526 MesoDyn 0.0 Mesocite 0.0019474196689386564 Mesoscale 0.004868549172346641 Morphology 0.007789678675754625 ONETEP 0.0 Polymorph 0.0038948393378773127 QSAR 0.0 Quantum Mechanics 0.4070107108081792 Reflex 0.0379746835443038 Reflex Plus 0.0 Sorption 0.02531645569620253 Visualization 0.8510223953261928 X-Cell 0.0 ZDOCK 0.035053554040895815

Year

2023 0.0018226002430133657 2024 0.5157958687727825 2025 1.0 2026 0.34264884568651277 2027 0.0

Keywords

novel 1.0 target 0.941476826394344 potential 0.3786331500392773 docking 0.30557737627651216 analysis 0.19049489395129615 promising 0.14846818538884524 visualization 0.1429693637077769 synthesized 0.12333071484681854 binding 0.10133542812254517 development 0.09583660644147683 activity 0.08641005498821681 between 0.0781618224666143 synthesis 0.07659073055773763 compound 0.061272584446190104 therapeutic 0.0384917517674784 effective 0.023959151610369208 stability 0.023959151610369208 protein 0.018067556952081697 including 0.014925373134328358 vitro 0.01178318931657502 design 0.009819324430479183 drug 0.009819324430479183 cell 0.00864100549882168 inhibition 0.004713275726630008 potent 0.0
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