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Application

Discovery Studio 0.6660345554150864 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09696521095484827 Amorphous Cell 0.1225018504811251 Antibody 0.0 Blends 0.003700962250185048 CASTEP 0.6617320503330866 CDOCKER 0.24056254626202814 CHARMm 0.2457438934122872 COMPASS 0.30940044411547 COMPASS III 0.013323464100666173 COSMOconf 3.700962250185048E-4 COSMOquick 0.0 COSMOtherm 0.03478904515173945 Catalyst 0.24278312361213916 Classical Simulations 0.8889711324944486 Conformers 0.0022205773501110288 Crystallization 0.16913397483345669 DFTB Plus 0.006291635825314582 DMol3 0.3560325684678016 DPD 0.008882309400444115 Discover 0.035159141376757956 Equilibria 0.0 Forcite 0.3630643967431532 GULP 0.034048852701702444 LUDI 0.009252405625462621 LibDock 0.04848260547742413 LigandFit 0.03145817912657291 MCSS 0.0033308660251665434 MODELER 0.15062916358253145 MesoDyn 0.0044411547002220575 Mesocite 0.0048112509252405625 Mesoscale 0.01628423390081421 Morphology 0.018134715025906734 ONETEP 0.0 Polymorph 0.007401924500370096 QMERA 0.0011102886750555144 QSAR 0.0029607698001480384 Quantum Mechanics 1.0 Reflex 0.13471502590673576 Reflex Plus 0.011843079200592153 Semi-empirical 0.017024426350851222 Sorption 0.04848260547742413 Synthia 0.0033308660251665434 TURBOMOLE 3.700962250185048E-4 VAMP 0.008882309400444115 Visualization 0.6558105107327905 X-Cell 0.0048112509252405625 ZDOCK 0.006661732050333087

Year

2003 0.0 2004 0.016778523489932886 2005 0.017897091722595078 2006 0.03467561521252797 2007 0.039149888143176735 2008 0.06599552572706935 2009 0.1029082774049217 2010 0.11521252796420582 2011 0.1342281879194631 2012 0.17785234899328858 2013 0.32102908277404923 2014 0.43512304250559286 2015 0.5548098434004475 2016 0.5335570469798657 2017 0.6610738255033557 2018 0.7874720357941835 2019 0.8847874720357942 2020 0.7930648769574944 2021 0.7885906040268457 2022 1.0 2023 0.732662192393736 2024 0.8221476510067114 2025 0.07941834451901567 2026 0.03803131991051454

Keywords

synthesized 1.0 target 0.9734238054848742 synthesis 0.2890867967203845 novel 0.19903873338987843 docking 0.1413627367825841 compound 0.13061916878710772 potential 0.11620016963528414 between 0.10121571953633023 visualization 0.0942889454339836 activity 0.07308453491659599 analysis 0.06545094713033645 designed 0.06191687871077184 experimental 0.056121006502685894 design 0.047780605032513426 x-ray 0.029262086513994912 well 0.02883799830364716 energy 0.027707096409386487 potent 0.024597116200169637 chemical 0.017811704834605598 promising 0.01752897936104043 binding 0.012864009047215155 inhibition 0.009047215154085382 vitro 0.0016963528413910093 cell 0.0011309018942606728 crystal 0.0
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