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Application

Discovery Studio 1.0 Materials Studio 0.5804977145759269 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04882301656495205 Amorphous Cell 0.23888404533565824 Blends 8.718395815170009E-4 CASTEP 0.25806451612903225 CDOCKER 0.2632955536181343 CHARMm 0.4097646033129904 COMPASS 0.3007846556233653 COMPASS III 0.06538796861377506 COSMObase 0.0026155187445510027 COSMOconf 0.0017436791630340018 COSMOmic 0.0 COSMOperm 0.0026155187445510027 COSMOplex 0.0 COSMOquick 0.004359197907585004 COSMOtherm 0.05841325196163906 Catalyst 0.1900610287707062 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.05231037489102005 DFTB Plus 0.0017436791630340018 DMol3 0.16390584132519617 DPD 0.0017436791630340018 Discover 0.0026155187445510027 Forcite 0.43766346992153443 GULP 0.007846556233653008 LUDI 0.00959023539668701 LibDock 0.10810810810810811 LigandFit 0.010462074978204011 MCSS 0.0 MODELER 0.3199651264167393 MesoDyn 0.0 Mesocite 8.718395815170009E-4 Mesoscale 0.004359197907585004 Morphology 0.012205754141238012 ONETEP 0.0017436791630340018 Polymorph 8.718395815170009E-4 QSAR 0.0026155187445510027 Quantum Mechanics 0.4115082824760244 Reflex 0.03836094158674804 Reflex Plus 0.0 Semi-empirical 0.0017436791630340018 Sorption 0.036617262423714034 Synthia 0.0 Visualization 0.8439407149084568 X-Cell 0.0 ZDOCK 0.044463818657367045

Year

2022 0.0 2023 0.26697429136453527 2024 0.6011865524060646 2025 1.0 2026 0.3157547791694133

Keywords

development 1.0 target 0.9453040662108673 potential 0.37459517812162646 docking 0.27204030226700254 novel 0.2148254767902123 analysis 0.18855703490464196 visualization 0.15437207628643396 promising 0.11838790931989925 between 0.10723281756027347 binding 0.0982367758186398 activity 0.08060453400503778 effective 0.05217704210147535 protein 0.04498020870816841 cell 0.04354084202950702 design 0.03994242533285355 therapeutic 0.039582583663188196 drug 0.025548758546239655 including 0.024469233537243614 stability 0.020151133501259445 interaction 0.01943145016192875 compound 0.015473191795609931 treatment 0.007556675062972292 synthesized 0.0053976250449802084 mechanism 0.00395825836631882 energy 0.0
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