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Application

Discovery Studio 0.7852028639618138 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.1 Amorphous Cell 0.1178082191780822 CASTEP 0.6123287671232877 CDOCKER 0.2808219178082192 CHARMm 0.3547945205479452 COMPASS 0.3273972602739726 COMPASS III 0.0013698630136986301 COSMOtherm 0.026027397260273973 Catalyst 0.3506849315068493 Classical Simulations 1.0 Conformers 0.0027397260273972603 Crystallization 0.1643835616438356 DFTB Plus 0.00684931506849315 DMol3 0.34794520547945207 DPD 0.00684931506849315 Discover 0.03561643835616438 Forcite 0.36027397260273974 GULP 0.04794520547945205 LUDI 0.015068493150684932 LibDock 0.038356164383561646 LigandFit 0.07397260273972603 MCSS 0.0 MODELER 0.2054794520547945 MesoDyn 0.0013698630136986301 Mesocite 0.00684931506849315 Mesoscale 0.012328767123287671 Morphology 0.01780821917808219 Polymorph 0.00410958904109589 QMERA 0.0013698630136986301 QSAR 0.0013698630136986301 Quantum Mechanics 0.9465753424657535 Reflex 0.136986301369863 Reflex Plus 0.0136986301369863 Semi-empirical 0.019178082191780823 Sorption 0.045205479452054796 TURBOMOLE 0.0 VAMP 0.00821917808219178 Visualization 0.6493150684931507 X-Cell 0.00410958904109589 ZDOCK 0.00821917808219178

Year

2003 0.0 2004 0.03896103896103896 2005 0.04155844155844156 2006 0.08051948051948052 2007 0.08831168831168831 2008 0.14285714285714285 2009 0.12207792207792208 2010 0.18181818181818182 2011 0.0987012987012987 2012 0.04415584415584416 2013 0.17922077922077922 2014 0.41818181818181815 2015 0.6025974025974026 2016 0.2545454545454545 2017 0.10909090909090909 2018 0.2831168831168831 2019 0.16883116883116883 2020 0.6805194805194805 2021 0.5142857142857142 2022 1.0 2023 0.23636363636363636 2024 0.4025974025974026 2025 0.14545454545454545 2026 0.08831168831168831

Keywords

synthesized 1.0 target 0.9671551288529561 synthesis 0.2961091460333502 novel 0.21728145528044468 docking 0.14401212733703891 compound 0.1278423446184942 potential 0.12076806467913087 between 0.09600808489135927 activity 0.07781707933299646 visualization 0.07680646791308741 designed 0.07377463365336029 design 0.05861546235472461 analysis 0.053562405255179385 experimental 0.03991915108640728 potent 0.036887316826680144 medicinal 0.027791814047498736 binding 0.02425467407781708 chemical 0.010611419909044972 well 0.009600808489135927 promising 0.008590197069226882 catalyst 0.006568974229408792 vitro 0.003031834259727135 energy 0.0025265285497726125 inhibition 0.0015159171298635675 x-ray 0.0
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