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Application

Discovery Studio 1.0 Materials Studio 0.44053733702094033 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06390210740992522 Amorphous Cell 0.14615907545887152 Blends 0.0 CASTEP 0.2957171991842284 CDOCKER 0.1794697484704283 CHARMm 0.31815091774303195 COMPASS 0.1903467029231815 COMPASS III 0.028552005438477225 COSMObase 6.798096532970768E-4 COSMOconf 6.798096532970768E-4 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.04078857919782461 Catalyst 0.13460231135282122 Classical Simulations 0.6920462270564242 Conformers 0.0 Crystallization 0.023113528212100613 DFTB Plus 0.002719238613188307 DMol3 0.10740992522093813 DPD 0.0013596193065941536 Discover 0.0013596193065941536 Forcite 0.2549286199864038 GULP 0.01291638341264446 LUDI 0.006118286879673691 LibDock 0.08361658735554045 LigandFit 0.0 MCSS 0.0 MODELER 0.28144119646498983 Mesocite 0.0013596193065941536 Mesoscale 0.002719238613188307 Morphology 0.004758667573079538 Polymorph 6.798096532970768E-4 QSAR 0.0 Quantum Mechanics 0.39632902787219576 Reflex 0.01495581237253569 Semi-empirical 0.003399048266485384 Sorption 0.02379333786539769 VAMP 0.0 Visualization 1.0 X-Cell 0.0020394289598912306 ZDOCK 0.029231815091774305

Year

2022 0.04774535809018567 2023 0.47413793103448276 2024 0.73342175066313 2025 1.0 2026 0.28713527851458887 2027 0.0

Keywords

analysis 1.0 target 0.9317544406357121 docking 0.4228731692115924 potential 0.4069803677157993 visualization 0.26674976628233094 binding 0.1511374259894048 between 0.11810532876285447 novel 0.08818946712371455 protein 0.08226861950763478 activity 0.07697101900903708 interaction 0.056092240573387346 promising 0.05578061701464631 stability 0.04954814583982549 including 0.04518541601745092 silico 0.031162355874104083 energy 0.02991586163913992 compound 0.023371766905578063 therapeutic 0.020255531318167652 treatment 0.009037083203490184 drug 0.008413836086008103 mechanism 0.007167341851043939 vitro 0.00373948270489249 effective 3.116235587410408E-4 cell 0.0 strong 0.0
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