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Application

Discovery Studio 0.6689069685178635 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0873015873015873 Amorphous Cell 0.11660561660561661 Antibody 0.0 Blends 0.002442002442002442 CASTEP 0.6428571428571429 CDOCKER 0.25213675213675213 CHARMm 0.27472527472527475 COMPASS 0.29365079365079366 COMPASS III 0.007326007326007326 COSMOconf 0.0 COSMOtherm 0.029304029304029304 Catalyst 0.2844932844932845 Classical Simulations 0.8803418803418803 Conformers 0.001221001221001221 Crystallization 0.163003663003663 DFTB Plus 0.006105006105006105 DMol3 0.3717948717948718 DPD 0.009768009768009768 Discover 0.03663003663003663 Forcite 0.3302808302808303 GULP 0.03663003663003663 LUDI 0.009157509157509158 LibDock 0.043345543345543344 LigandFit 0.04212454212454213 MCSS 0.002442002442002442 MODELER 0.16117216117216118 MesoDyn 0.003663003663003663 Mesocite 0.004884004884004884 Mesoscale 0.016483516483516484 Morphology 0.018925518925518924 ONETEP 0.0 Polymorph 0.006105006105006105 QMERA 0.001221001221001221 QSAR 0.002442002442002442 Quantum Mechanics 1.0 Reflex 0.13003663003663005 Reflex Plus 0.0115995115995116 Semi-empirical 0.020757020757020756 Sorption 0.04700854700854701 Synthia 0.001221001221001221 TURBOMOLE 6.105006105006105E-4 VAMP 0.01221001221001221 Visualization 0.5836385836385837 X-Cell 0.006105006105006105 ZDOCK 0.007326007326007326

Year

2003 0.0 2004 0.024115755627009645 2005 0.02572347266881029 2006 0.04983922829581994 2007 0.05627009646302251 2008 0.09485530546623794 2009 0.14790996784565916 2010 0.16559485530546625 2011 0.19292604501607716 2012 0.24437299035369775 2013 0.26688102893890675 2014 0.4405144694533762 2015 0.590032154340836 2016 0.5868167202572347 2017 0.6221864951768489 2018 0.5498392282958199 2019 0.4292604501607717 2020 0.6945337620578779 2021 0.41961414790996787 2022 1.0 2023 0.6109324758842444 2024 0.42443729903536975 2025 0.09003215434083602 2026 0.05466237942122187

Keywords

synthesized 1.0 target 0.9686087990487515 synthesis 0.28751486325802617 novel 0.20118906064209274 compound 0.13269916765755055 docking 0.12841854934601665 potential 0.10677764565992866 between 0.10059453032104637 activity 0.07300832342449465 visualization 0.07253269916765755 designed 0.06872770511296077 analysis 0.05873959571938169 experimental 0.055410225921522 design 0.04732461355529132 potent 0.02925089179548157 well 0.025208085612366232 x-ray 0.024494649227110584 energy 0.022592152199762187 chemical 0.016884661117717005 promising 0.01498216409036861 binding 0.012604042806183116 medicinal 0.009750297265160524 inhibition 0.007134363852556481 cell 0.005469678953626635 crystal 0.0
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