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Application

Discovery Studio 1.0 Materials Studio 0.8382547377699427 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06260575296108291 Amorphous Cell 0.07698815566835872 Blends 0.0 CASTEP 0.5186125211505922 CDOCKER 0.3840947546531303 CHARMm 0.4196277495769882 COMPASS 0.2225042301184433 COMPASS III 0.01015228426395939 COSMObase 8.460236886632825E-4 COSMOconf 8.460236886632825E-4 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.050761421319796954 Catalyst 0.4560067681895093 Classical Simulations 1.0 Conformers 0.00676818950930626 Crystallization 0.16328257191201354 DFTB Plus 0.005076142131979695 DMol3 0.4357021996615905 DPD 0.005076142131979695 Discover 0.024534686971235193 Forcite 0.2859560067681895 GULP 0.08629441624365482 LUDI 0.0194585448392555 LibDock 0.07614213197969544 LigandFit 0.07360406091370558 MCSS 0.00338409475465313 MODELER 0.2969543147208122 MesoDyn 0.00676818950930626 Mesocite 0.00338409475465313 Mesoscale 0.016074450084602367 Morphology 0.01692047377326565 Polymorph 0.00338409475465313 QMERA 0.0 QSAR 0.005076142131979695 Quantum Mechanics 0.9331641285956007 Reflex 0.12859560067681894 Reflex Plus 0.012690355329949238 Semi-empirical 0.01692047377326565 Sorption 0.027918781725888325 Synthia 0.0 TURBOMOLE 0.001692047377326565 VAMP 0.01015228426395939 Visualization 0.9297800338409475 X-Cell 0.014382402707275803 ZDOCK 0.007614213197969543

Year

2003 0.006880733944954129 2004 0.04128440366972477 2005 0.03669724770642202 2006 0.07568807339449542 2007 0.11467889908256881 2008 0.12844036697247707 2009 0.1720183486238532 2010 0.231651376146789 2011 0.24541284403669725 2012 0.28440366972477066 2013 0.47706422018348627 2014 0.6077981651376146 2015 0.8256880733944955 2016 0.7454128440366973 2017 1.0 2018 0.6834862385321101 2019 0.6697247706422018 2020 0.8692660550458715 2021 0.5642201834862385 2022 0.926605504587156 2023 0.6307339449541285 2024 0.3119266055045872 2025 0.22018348623853212 2026 0.05504587155963303 2027 0.0

Keywords

synthesis 1.0 target 0.9674085850556439 synthesized 0.3701642819289878 novel 0.23396926338102808 docking 0.19236883942766295 design 0.1518282988871224 compound 0.14705882352941177 visualization 0.14016958134605192 activity 0.13195548489666137 potential 0.12983571807101218 potent 0.06624271330153683 between 0.06465288818229994 medicinal 0.05246422893481717 analysis 0.050344462109167994 designed 0.04398516163222046 catalyst 0.037360890302066775 binding 0.03391626921038686 chemical 0.03391626921038686 inhibition 0.03073661897191309 well 0.020932697403285638 vitro 0.01881293057763646 experimental 0.015368309485956544 promising 0.015103338632750398 active 0.013248542660307366 cell 0.0
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