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Application

Discovery Studio 0.8810949529512404 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11083499005964215 Amorphous Cell 0.14463220675944333 Antibody 0.0 Blends 0.002485089463220676 CASTEP 0.6197813121272365 CDOCKER 0.2524850894632207 CHARMm 0.29970178926441354 COMPASS 0.3374751491053678 COMPASS III 0.02584493041749503 COSMObase 0.0 COSMOconf 4.970178926441351E-4 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 9.940357852882703E-4 COSMOtherm 0.03429423459244533 Catalyst 0.2947316103379722 Classical Simulations 1.0 Conformers 9.940357852882703E-4 Crystallization 0.16998011928429424 DFTB Plus 0.007952286282306162 DMol3 0.31510934393638174 DPD 0.007952286282306162 Discover 0.0268389662027833 Forcite 0.41848906560636184 GULP 0.02982107355864811 LUDI 0.010934393638170975 LibDock 0.06809145129224652 LigandFit 0.030815109343936383 MCSS 0.0034791252485089465 MODELER 0.14860834990059643 MesoDyn 0.003976143141153081 Mesocite 0.0034791252485089465 Mesoscale 0.015407554671968192 Morphology 0.024353876739562623 Polymorph 0.004970178926441352 QMERA 4.970178926441351E-4 QSAR 0.0019880715705765406 Quantum Mechanics 0.9174950298210736 Reflex 0.13369781312127235 Reflex Plus 0.009940357852882704 Semi-empirical 0.016898608349900597 Sorption 0.04920477137176938 Synthia 0.002982107355864811 TURBOMOLE 0.0 VAMP 0.007455268389662028 Visualization 0.9244532803180915 X-Cell 0.0054671968190854875 ZDOCK 0.0044731610337972166

Year

2002 0.0 2003 0.0011074197120708748 2004 0.006644518272425249 2005 0.007751937984496124 2006 0.013289036544850499 2007 0.017718715393133997 2008 0.03211517165005537 2009 0.05094130675526024 2010 0.0664451827242525 2011 0.11295681063122924 2012 0.14396456256921372 2013 0.18161683277962348 2014 0.1937984496124031 2015 0.2502768549280177 2016 0.24473975636766335 2017 0.3233665559246955 2018 0.40753045404208194 2019 0.4894795127353267 2020 0.5393133997785161 2021 0.6146179401993356 2022 0.6888150609080842 2023 0.8416389811738649 2024 1.0 2025 0.9357696566998892 2026 0.301218161683278

Keywords

synthesized 1.0 target 0.966432608323343 synthesis 0.3104983730090769 novel 0.2127076554204487 docking 0.2113375578009933 potential 0.16800822058571674 visualization 0.15276588456927556 compound 0.14540160986470285 analysis 0.0964206199691728 activity 0.09436547353998972 between 0.08768624764514471 designed 0.056687789004966606 design 0.054118855968487756 binding 0.048467203288234284 experimental 0.0470971056687789 promising 0.03802020893988697 inhibition 0.02979962322315465 potent 0.02877205000856311 vitro 0.01883884226751156 energy 0.017640006850488096 well 0.014386025004281554 cell 0.009248158931323858 chemical 0.007535536907004624 x-ray 0.0022264086316150025 active 0.0
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