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Application

Discovery Studio 1.0 Materials Studio 0.7145518526185055 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.061224489795918366 Amorphous Cell 0.24274973147153597 Blends 0.002506265664160401 CASTEP 0.4113856068743287 CDOCKER 0.21303258145363407 CHARMm 0.3422842821339062 COMPASS 0.36126029359112066 COMPASS III 0.04296455424274973 COSMObase 0.0010741138560687433 COSMOconf 7.160759040458289E-4 COSMOperm 0.0014321518080916578 COSMOplex 0.0 COSMOquick 7.160759040458289E-4 COSMOtherm 0.05728607232366631 Cantera 0.0 Catalyst 0.1439312567132116 Classical Simulations 1.0 Conformers 3.5803795202291446E-4 Crystallization 0.07232366630862871 DFTB Plus 0.00895094880057286 DMol3 0.18761188686000715 DPD 0.004654493376297888 Discover 0.003938417472252059 Forcite 0.45506623702112425 GULP 0.031149301825993556 LUDI 0.0035803795202291443 LibDock 0.09094163981382027 LigandFit 0.00644468313641246 MCSS 0.0010741138560687433 MODELER 0.3233082706766917 MesoDyn 0.00322234156820623 Mesocite 0.004654493376297888 Mesoscale 0.010383100608664519 Morphology 0.016469745793054064 ONETEP 3.5803795202291446E-4 Polymorph 0.0017901897601145722 QMERA 0.0 QSAR 0.0017901897601145722 Quantum Mechanics 0.5871822413175797 Reflex 0.05406373075546008 Semi-empirical 0.011815252416756176 Sorption 0.03866809881847476 Synthia 0.0021482277121374865 TURBOMOLE 7.160759040458289E-4 VAMP 0.0021482277121374865 Visualization 0.983172216254923 X-Cell 3.5803795202291446E-4 ZDOCK 0.03580379520229144

Year

2024 0.0

Keywords

target 1.0 potential 0.29987642455032265 docking 0.2666483591926404 visualization 0.20499794040917205 analysis 0.1995056982012907 between 0.14568172456405326 novel 0.10133186873541124 binding 0.0855416723877523 activity 0.0654949883289853 promising 0.04119181655911026 energy 0.041054510503913226 interaction 0.03954414389674585 protein 0.03803377728957847 cell 0.027598517094603873 synthesized 0.01702595084443224 stability 0.015240972126870795 synthesis 0.012357544967733078 effective 0.011396402581353838 development 0.009886035974186462 experimental 0.00851297542221612 mechanism 0.00755183303583688 including 0.0031580392695317863 vitro 0.0010984484415762735 silico 9.611423863792394E-4 compound 0.0
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