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Application

Discovery Studio 1.0 Materials Studio 0.640872607532414 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09076015727391874 Amorphous Cell 0.10976408912188729 Blends 0.001310615989515072 CASTEP 0.30045871559633025 CDOCKER 0.23296199213630406 CHARMm 0.2591743119266055 COMPASS 0.24803407601572738 COMPASS III 0.03407601572739188 COSMObase 0.0 COSMOconf 3.27653997378768E-4 COSMOmic 0.0 COSMOperm 3.27653997378768E-4 COSMOquick 3.27653997378768E-4 COSMOtherm 0.022280471821756225 Catalyst 0.25360419397116646 Classical Simulations 0.7667103538663171 Conformers 0.001310615989515072 Crystallization 0.10222804718217562 DFTB Plus 0.004259501965923985 DMol3 0.13663171690694625 DPD 0.001310615989515072 Discover 0.0022935779816513763 Forcite 0.3473132372214941 GULP 0.011795543905635648 LUDI 0.006880733944954129 LibDock 0.06487549148099607 LigandFit 0.006880733944954129 MCSS 0.00327653997378768 MODELER 0.1300786369593709 MesoDyn 0.001310615989515072 Mesocite 0.001310615989515072 Mesoscale 0.004259501965923985 Morphology 0.012778505897771953 Polymorph 0.001310615989515072 QMERA 0.0 QSAR 0.00163826998689384 Quantum Mechanics 0.42955439056356487 Reflex 0.0871559633027523 Reflex Plus 0.00163826998689384 Semi-empirical 0.007208387942332897 Sorption 0.03702490170380079 Synthia 0.001965923984272608 TURBOMOLE 0.0 VAMP 0.0022935779816513763 Visualization 1.0 X-Cell 0.00163826998689384 ZDOCK 0.006225425950196592

Year

2017 0.0550561797752809 2018 0.13258426966292136 2019 0.23876404494382023 2020 0.25224719101123594 2021 0.31235955056179776 2022 0.5348314606741573 2023 0.848314606741573 2024 1.0 2025 0.9174157303370787 2026 0.298314606741573 2027 0.0

Keywords

synthesized 1.0 target 0.9670958512160229 synthesis 0.3736766809728183 docking 0.3535050071530758 novel 0.2685264663805436 visualization 0.2665236051502146 potential 0.24892703862660945 compound 0.19785407725321888 activity 0.15050071530758227 analysis 0.13934191702432044 binding 0.09971387696709585 designed 0.08726752503576538 design 0.08497854077253218 promising 0.08483547925608012 potent 0.0771101573676681 between 0.07510729613733906 vitro 0.07439198855507868 inhibition 0.06995708154506437 experimental 0.028898426323319026 active 0.02861230329041488 cell 0.01917024320457797 drug 0.010872675250357653 effective 0.007439198855507869 energy 4.2918454935622315E-4 well 0.0
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