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Application

Discovery Studio 1.0 Materials Studio 0.8525963149078727 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056782334384858045 Amorphous Cell 0.0694006309148265 CASTEP 0.49842271293375395 CDOCKER 0.39747634069400634 CHARMm 0.41798107255520506 COMPASS 0.222397476340694 COMPASS III 0.007886435331230283 COSMObase 0.0015772870662460567 COSMOconf 0.0015772870662460567 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.0473186119873817 Catalyst 0.45741324921135645 Classical Simulations 1.0 Conformers 0.00946372239747634 Crystallization 0.1750788643533123 DFTB Plus 0.00473186119873817 DMol3 0.44952681388012616 DPD 0.007886435331230283 Discover 0.028391167192429023 Forcite 0.28391167192429023 GULP 0.0914826498422713 LUDI 0.015772870662460567 LibDock 0.07886435331230283 LigandFit 0.07413249211356467 MCSS 0.0015772870662460567 MODELER 0.2981072555205047 MesoDyn 0.0031545741324921135 Mesocite 0.00473186119873817 Mesoscale 0.015772870662460567 Morphology 0.02050473186119874 Polymorph 0.0031545741324921135 QMERA 0.0 QSAR 0.00473186119873817 Quantum Mechanics 0.9242902208201893 Reflex 0.13722397476340695 Reflex Plus 0.012618296529968454 Semi-empirical 0.01892744479495268 Sorption 0.01892744479495268 TURBOMOLE 0.0 VAMP 0.011041009463722398 Visualization 0.886435331230284 X-Cell 0.012618296529968454 ZDOCK 0.00473186119873817

Year

2003 0.012658227848101266 2004 0.0379746835443038 2005 0.04219409282700422 2006 0.0759493670886076 2007 0.09282700421940929 2008 0.10126582278481013 2009 0.189873417721519 2010 0.21518987341772153 2011 0.24050632911392406 2012 0.27848101265822783 2013 0.5780590717299579 2014 0.6962025316455697 2015 0.9873417721518988 2016 0.5907172995780591 2017 0.7172995780590717 2018 0.7890295358649789 2019 1.0 2020 0.5991561181434599 2021 0.4050632911392405 2022 0.7805907172995781 2023 0.7848101265822784 2024 0.13924050632911392 2025 0.20253164556962025 2026 0.05907172995780591 2027 0.0

Keywords

synthesis 1.0 target 0.9686567164179104 synthesized 0.3761194029850746 novel 0.2308457711442786 docking 0.191044776119403 design 0.16666666666666666 compound 0.15671641791044777 activity 0.14626865671641792 visualization 0.13532338308457711 potential 0.1338308457711443 potent 0.07661691542288557 between 0.07164179104477612 medicinal 0.05522388059701493 analysis 0.05373134328358209 designed 0.0527363184079602 catalyst 0.046766169154228855 inhibition 0.04328358208955224 binding 0.03880597014925373 chemical 0.031840796019900496 active 0.028855721393034824 vitro 0.023880597014925373 experimental 0.020895522388059702 promising 0.020895522388059702 well 0.01890547263681592 cell 0.0
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