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Application

Discovery Studio 1.0 Materials Studio 0.9826256462412069 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0684156960307588 Amorphous Cell 0.2726450299672057 Blends 0.0029401786723962458 CASTEP 0.39454936107655775 CDOCKER 0.17731539070451205 CHARMm 0.2645029967205699 COMPASS 0.36967092615628183 COMPASS III 0.0723736288589845 COSMObase 0.0028270948773040823 COSMOconf 0.003505597647857062 COSMOmic 2.2616759018432659E-4 COSMOperm 9.046703607373063E-4 COSMOplex 3.392513852764899E-4 COSMOquick 0.001922424516566776 COSMOtherm 0.06117833314486034 Cantera 0.0 Catalyst 0.10776885672283162 Classical Simulations 1.0 Conformers 0.0014700893361981229 Crystallization 0.07712314825285536 DFTB Plus 0.004297184213502205 DMol3 0.18342191563948887 DPD 0.0029401786723962458 Discover 0.005314938369331675 Forcite 0.5300237475969694 GULP 0.02533077010064458 Kinetix 1.1308379509216329E-4 LUDI 0.006558860115345471 LibDock 0.07033812054732556 LigandFit 0.008481284631912247 MCSS 0.0015831731312902862 MODELER 0.20626484224810585 MesoDyn 0.0013570055411059596 Mesocite 0.004636435598778695 Mesoscale 0.00791586565645143 Morphology 0.017301820649100984 ONETEP 0.0014700893361981229 Polymorph 0.0016962569263824494 QMERA 2.2616759018432659E-4 QSAR 0.0011308379509216329 Quantum Mechanics 0.5663236458215538 Reflex 0.05767273549700328 Reflex Plus 5.654189754608164E-4 Semi-empirical 0.006219608730068981 Sorption 0.05371480266877757 Synthia 6.785027705529798E-4 TURBOMOLE 4.5233518036865317E-4 VAMP 0.0014700893361981229 Visualization 0.8413434354856949 X-Cell 0.0013570055411059596 ZDOCK 0.030645708469976253

Year

2020 0.09595222295952223 2021 0.20185799601857995 2022 0.2298606502986065 2023 0.4659588586595886 2024 0.8080955540809556 2025 1.0 2026 0.5161247511612476 2027 0.0

Keywords

target 1.0 potential 0.2606476938174681 docking 0.21256133464180568 visualization 0.20372914622178606 analysis 0.17845927379784102 between 0.15083415112855741 novel 0.09842983316977429 energy 0.07983316977428852 binding 0.07193326790971541 cell 0.057212953876349365 activity 0.050049067713444556 promising 0.046810598626104025 interaction 0.03621197252208047 stability 0.02674190382728165 experimental 0.022718351324828263 synthesized 0.022423945044160943 mechanism 0.018105986261040236 protein 0.017222767419038273 effective 0.016535819430814523 performance 0.01408243375858685 development 0.013002944062806674 synthesis 0.008930323846908735 including 0.00775269872423945 design 0.0021589793915603533 chemical 0.0
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