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Application

Discovery Studio 1.0 Materials Studio 0.5576820839978734 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0602655771195097 Amorphous Cell 0.19050051072522983 Blends 5.107252298263534E-4 CASTEP 0.3232890704800817 CDOCKER 0.3421859039836568 CHARMm 0.42594484167517876 COMPASS 0.2900919305413687 COMPASS III 0.06077630234933606 COSMObase 0.0020429009193054137 COSMOconf 5.107252298263534E-4 COSMOperm 5.107252298263534E-4 COSMOplex 0.0 COSMOquick 0.0020429009193054137 COSMOtherm 0.04443309499489275 Catalyst 0.26915219611848823 Classical Simulations 1.0 Conformers 5.107252298263534E-4 Crystallization 0.06128702757916241 DFTB Plus 0.0030643513789581204 DMol3 0.1501532175689479 DPD 0.0015321756894790602 Discover 0.0015321756894790602 Forcite 0.42083758937691523 GULP 0.008682328907048007 LUDI 0.008682328907048007 LibDock 0.12563840653728295 LigandFit 0.01174668028600613 MCSS 0.0015321756894790602 MODELER 0.28907048008171604 MesoDyn 0.0010214504596527069 Mesocite 0.0030643513789581204 Mesoscale 0.0056179775280898875 Morphology 0.009703779366700716 ONETEP 0.0 Polymorph 0.0020429009193054137 QSAR 0.0010214504596527069 Quantum Mechanics 0.46527068437180796 Reflex 0.04851889683350358 Reflex Plus 5.107252298263534E-4 Semi-empirical 0.0040858018386108275 Sorption 0.02400408580183861 Synthia 5.107252298263534E-4 TURBOMOLE 0.0 VAMP 5.107252298263534E-4 Visualization 0.984167517875383 X-Cell 0.0010214504596527069 ZDOCK 0.03626149131767109

Year

2022 0.13930789707187222 2023 0.4334516415261757 2024 0.8970718722271517 2025 1.0 2026 0.2506654835847382 2027 0.0

Keywords

novel 1.0 target 0.9585683719120793 potential 0.3468196848862089 docking 0.30830577708617 visualization 0.18342734876483174 analysis 0.17467418790118655 synthesized 0.13518770667185373 promising 0.10289826881929585 synthesis 0.09900797510212021 activity 0.09219996109706283 binding 0.09200544641120405 development 0.07975102120210076 between 0.0770278156000778 compound 0.07021980159502042 design 0.035401672826298386 protein 0.026453997276794396 drug 0.023925306360630227 effective 0.02081307138688971 stability 0.020424042015172145 vitro 0.01828438047072554 cell 0.012448939894962069 potent 0.006418984633339817 inhibition 0.004668352460610776 therapeutic 0.004668352460610776 including 0.0
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