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Application

Discovery Studio 0.6651651651651652 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09311390212213079 Amorphous Cell 0.11909917713295799 Antibody 0.0 Blends 0.00259852750108272 CASTEP 0.6626245127760936 CDOCKER 0.24469467301862277 CHARMm 0.2568211346903421 COMPASS 0.29406669553919446 COMPASS III 0.013425725422260719 COSMOconf 4.3308791684711995E-4 COSMOperm 0.0 COSMOquick 4.3308791684711995E-4 COSMOtherm 0.036379385015158076 Catalyst 0.26331745344304897 Classical Simulations 0.8713728886964054 Conformers 0.00129926375054136 Crystallization 0.16847119965352966 DFTB Plus 0.006063230835859679 DMol3 0.3555651797314855 DPD 0.00996102208748376 Discover 0.036379385015158076 Equilibria 0.0 Forcite 0.3451710697271546 GULP 0.033780857514075356 LUDI 0.009094846253789519 LibDock 0.047206582936336075 LigandFit 0.03291468168038112 MCSS 0.0034647033347769596 MODELER 0.14724989172802078 MesoDyn 0.0038977912516240795 Mesocite 0.0030316154179298397 Mesoscale 0.01602425292334344 Morphology 0.0194889562581204 ONETEP 4.3308791684711995E-4 Polymorph 0.00519705500216544 QMERA 8.661758336942399E-4 QSAR 0.0030316154179298397 Quantum Mechanics 1.0 Reflex 0.1346903421394543 Reflex Plus 0.01169337375487224 Semi-empirical 0.0173235166738848 Sorption 0.04504114335210048 Synthia 0.00259852750108272 TURBOMOLE 4.3308791684711995E-4 VAMP 0.009527934170636639 Visualization 0.6201818969250757 X-Cell 0.0043308791684712 ZDOCK 0.00519705500216544

Year

2003 0.0 2004 0.018137847642079808 2005 0.019347037484885126 2006 0.037484885126964934 2007 0.04232164449818621 2008 0.07134220072551391 2009 0.11124546553808948 2010 0.12454655380894801 2011 0.14631197097944376 2012 0.18500604594921402 2013 0.34945586457073763 2014 0.4703748488512696 2015 0.5779927448609432 2016 0.44740024183796856 2017 0.5707376058041113 2018 0.656590084643289 2019 0.7871825876662636 2020 0.652962515114873 2021 0.5985489721886336 2022 1.0 2023 0.7702539298669892 2024 0.5066505441354293 2025 0.14026602176541716 2026 0.044740024183796856

Keywords

synthesized 1.0 target 0.972742474916388 synthesis 0.2911371237458194 novel 0.1939799331103679 compound 0.1362876254180602 docking 0.13561872909698997 potential 0.11705685618729098 between 0.09899665551839465 visualization 0.08561872909698996 activity 0.07642140468227425 designed 0.06688963210702341 analysis 0.06521739130434782 experimental 0.06337792642140468 design 0.04832775919732441 energy 0.034280936454849496 x-ray 0.029096989966555183 well 0.02508361204013378 potent 0.0225752508361204 promising 0.01956521739130435 chemical 0.01839464882943144 binding 0.013879598662207358 inhibition 0.009030100334448161 crystal 0.002173913043478261 vitro 6.688963210702341E-4 cell 0.0
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