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Application

Discovery Studio 1.0 Materials Studio 0.9788852957960814 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06573534453205349 Amorphous Cell 0.2782824820020569 Blends 0.002485430236544395 CASTEP 0.4038395611930065 CDOCKER 0.1741515255399383 CHARMm 0.2607987658553308 COMPASS 0.36612958519026395 COMPASS III 0.07773397326019883 COSMObase 0.0031710661638669865 COSMOconf 0.0036852931093589304 COSMOmic 8.570449091532397E-5 COSMOperm 0.0012855673637298594 COSMOplex 2.571134727459719E-4 COSMOquick 0.0012855673637298594 COSMOtherm 0.06419266369557765 Cantera 8.570449091532397E-5 Catalyst 0.12324305793623586 Classical Simulations 1.0 Conformers 0.0010284538909838875 Crystallization 0.07430579362358587 DFTB Plus 0.006256427836818649 DMol3 0.18263627014055536 DPD 0.002828248200205691 Discover 0.00454233801851217 Forcite 0.5305965032567707 GULP 0.025625642783681866 Kinetix 1.7140898183064793E-4 LUDI 0.005313678436750085 LibDock 0.07139184093246487 LigandFit 0.006684950291395269 MCSS 0.0011998628728145354 MODELER 0.19549194377785395 MesoDyn 0.0015426808364758314 Mesocite 0.0038567020911895785 Mesoscale 0.007284881727802537 Modules 0.0 Morphology 0.01816935207404868 ONETEP 9.427494000685636E-4 Polymorph 0.001971203291052451 QMERA 1.7140898183064793E-4 QSAR 0.0013712718546451835 Quantum Mechanics 0.5744772026054166 Reflex 0.053736715803908125 Reflex Plus 7.713404182379157E-4 Semi-empirical 0.008399040109701748 Sorption 0.054508056222146044 Synthia 0.0014569763455605073 TURBOMOLE 5.142269454919438E-4 VAMP 0.0017997943092218033 Visualization 0.8729859444634899 X-Cell 0.0011998628728145354 ZDOCK 0.029910867329448063

Year

2020 0.02011065249846316 2021 0.13067533151839816 2022 0.17361903925529112 2023 0.43286203565469394 2024 0.8067972249055941 2025 1.0 2026 0.373320453148327 2027 0.0

Keywords

target 1.0 potential 0.2681867931411894 docking 0.21816855162349508 visualization 0.21032469901495804 analysis 0.18219627873039038 between 0.1492156147391463 novel 0.09879605983217804 energy 0.08102882159795695 binding 0.06909886902590295 cell 0.05705946734768333 activity 0.05122218168551623 promising 0.047245530828164906 interaction 0.03527909522072237 synthesized 0.02747172564757388 experimental 0.026924480116745714 stability 0.026523166727471726 protein 0.019700839109813937 performance 0.017074060561838744 development 0.016417365924844947 mechanism 0.015395840933965706 effective 0.01433783290769792 synthesis 0.01054359722728931 including 0.009011309740970449 chemical 0.0012039401678219628 design 0.0
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