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Application

Discovery Studio 1.0 Materials Studio 0.990519565015336 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06663465001800936 Amorphous Cell 0.2783047184535959 Blends 0.002281186216832753 CASTEP 0.37063272901908995 CDOCKER 0.1728899027494297 CHARMm 0.26725897466682674 COMPASS 0.35250330171689276 COMPASS III 0.08584463921239044 COSMObase 0.0034818105414815706 COSMOconf 0.004202185136270861 COSMOmic 1.2006243246488174E-4 COSMOperm 9.604994597190539E-4 COSMOplex 1.2006243246488174E-4 COSMOquick 0.0014407491895785808 COSMOtherm 0.06207227758434386 Cantera 0.0 Catalyst 0.11357906111177812 Classical Simulations 1.0 Conformers 0.0010805618921839357 Crystallization 0.07335814623604274 DFTB Plus 0.004442310001200624 DMol3 0.16724696842358025 DPD 0.00276143594669228 Discover 0.003721935406411334 Forcite 0.5297154520350582 GULP 0.022691799735862647 Kinetix 2.4012486492976348E-4 LUDI 0.005402809460919678 LibDock 0.07083683515428023 LigandFit 0.006123184055708969 MCSS 9.604994597190539E-4 MODELER 0.2005042622163525 MesoDyn 0.0012006243246488173 Mesocite 0.003721935406411334 Mesoscale 0.007083683515428023 Modules 0.0 Morphology 0.016448553247688798 ONETEP 0.0010805618921839357 Polymorph 0.0015608116220434626 QMERA 2.4012486492976348E-4 QSAR 7.203745947892904E-4 Quantum Mechanics 0.5280345779805499 Reflex 0.05450834433905631 Reflex Plus 7.203745947892904E-4 Semi-empirical 0.00624324648817385 Sorption 0.05438828190659143 Synthia 8.404370272541722E-4 TURBOMOLE 4.8024972985952696E-4 VAMP 0.0013206867571136992 Visualization 0.8002161123784368 X-Cell 0.0013206867571136992 ZDOCK 0.0289350462240365

Year

2021 0.0037921035021191165 2022 0.16685255409324112 2023 0.24068703992861923 2024 0.676332812848539 2025 1.0 2026 0.4734552754851662 2027 0.0

Keywords

target 1.0 potential 0.28550082715192915 docking 0.22461177223971396 analysis 0.19979721436576126 visualization 0.19905010939751322 between 0.15342334169379368 novel 0.10507497732002775 energy 0.08602380062970276 binding 0.07860611558781151 cell 0.06574523720582742 promising 0.06457121511286622 activity 0.05496557980682 stability 0.04125086717540957 interaction 0.03575430919472757 performance 0.033299535727626874 synthesized 0.03079139761993703 experimental 0.02844335343401462 effective 0.025134745717487594 mechanism 0.023800629702758952 including 0.021879502641549708 protein 0.02075884518917765 development 0.020705480548588506 synthesis 0.014515182240247611 design 0.006563850792464913 chemical 0.0
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