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Application

Discovery Studio 1.0 Materials Studio 0.7140982377202849 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0605854322668482 Amorphous Cell 0.13308373042886318 Blends 0.0037440435670524166 CASTEP 0.471068754254595 CDOCKER 0.365214431586113 CHARMm 0.4727705922396188 COMPASS 0.2624234172906739 COMPASS III 0.01701837985023826 COSMObase 6.807351940095302E-4 COSMOconf 3.403675970047651E-4 COSMOmic 0.0 COSMOquick 0.002722940776038121 COSMOtherm 0.06432947583390061 Catalyst 0.46698434309053777 Classical Simulations 1.0 Conformers 0.0020422055820285907 Crystallization 0.09189925119128659 DFTB Plus 0.0034036759700476512 DMol3 0.3046289993192648 DPD 0.009870660313138189 Discover 0.026208304969366915 Forcite 0.3114363512593601 GULP 0.03573859768550034 LUDI 0.03675970047651463 LibDock 0.11368277739959155 LigandFit 0.07862491490810075 MCSS 0.006466984343090538 MODELER 0.39244383934649424 MesoDyn 0.005786249149081007 Mesocite 0.007828454731109599 Mesoscale 0.019400953029271615 Morphology 0.013614703880190605 ONETEP 0.0030633083730428863 Polymorph 0.006126616746085773 QMERA 6.807351940095302E-4 QSAR 0.0037440435670524166 Quantum Mechanics 0.7634445200816882 Reflex 0.07079646017699115 Reflex Plus 0.002722940776038121 Reflex QPA 0.0 Semi-empirical 0.008168822328114363 Sorption 0.027910142954390742 Synthia 6.807351940095302E-4 TURBOMOLE 0.0010211027910142954 VAMP 0.0034036759700476512 Visualization 0.7736555479918312 X-Cell 0.0068073519400953025 ZDOCK 0.0371000680735194

Year

2002 0.0 2003 0.005110732538330494 2004 0.013628620102214651 2005 0.019591141396933562 2006 0.030664395229982964 2007 0.04003407155025554 2008 0.0706984667802385 2009 0.08603066439522998 2010 0.13798977853492334 2011 0.12180579216354344 2012 0.11925042589437819 2013 0.29642248722316866 2014 0.4301533219761499 2015 0.49233390119250425 2016 0.4540034071550256 2017 0.5391822827938672 2018 0.6303236797274276 2019 0.6499148211243612 2020 0.5545144804088586 2021 0.5519591141396933 2022 0.9463373083475298 2023 1.0 2024 0.5885860306643952 2025 0.46337308347529815 2026 0.022998296422487224

Keywords

novel 1.0 target 0.9671068427370948 potential 0.1955582232893157 docking 0.18547418967587034 synthesized 0.12424969987995198 visualization 0.10744297719087635 synthesis 0.10084033613445378 analysis 0.09339735894357742 activity 0.08955582232893157 between 0.0885954381752701 design 0.08019207683073229 compound 0.0666266506602641 binding 0.06014405762304922 development 0.033373349339735896 promising 0.029891956782713086 catalyst 0.021968787515006003 potent 0.019567827130852342 well 0.016926770708283315 chemical 0.015846338535414166 protein 0.014285714285714285 drug 0.010684273709483794 cell 0.009723889555822329 energy 0.008043217286914766 inhibition 0.007563025210084034 designed 0.0
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