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Application

Discovery Studio 1.0 Materials Studio 0.5532604293236127 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.016725170348957256 Amorphous Cell 0.01548626884162709 Blends 0.0 CASTEP 0.16415444972124715 CDOCKER 0.1680776378277927 CHARMm 0.28845756762337393 COMPASS 0.03985133181912038 COMPASS III 0.0041296716911005575 COSMObase 6.194507536650836E-4 COSMOtherm 0.018790006194507537 Catalyst 1.0 Classical Simulations 0.39582903159198846 Conformers 6.194507536650836E-4 Crystallization 0.02539748090026843 DFTB Plus 0.0010324179227751394 DMol3 0.29651042742102 DPD 4.1296716911005574E-4 Discover 0.001651868676440223 Forcite 0.06111914102828825 GULP 0.011356597150526533 Kinetix 4.1296716911005574E-4 LUDI 0.045219905017551104 LibDock 0.06979145157959943 LigandFit 0.06834606648771423 MCSS 0.005988023952095809 MODELER 0.2384885401610572 MesoDyn 2.0648358455502787E-4 Mesocite 4.1296716911005574E-4 Mesoscale 0.0010324179227751394 Morphology 0.0012389015073301672 ONETEP 2.0648358455502787E-4 Polymorph 0.0 QMERA 0.0012389015073301672 QSAR 6.194507536650836E-4 Quantum Mechanics 0.4484823456535205 Reflex 0.02209374354738798 Reflex Plus 0.001858352260995251 Semi-empirical 0.003303737352880446 Sorption 0.010324179227751393 TURBOMOLE 2.0648358455502787E-4 VAMP 6.194507536650836E-4 Visualization 0.04707825727854636 X-Cell 4.1296716911005574E-4 ZDOCK 0.010943629981416477

Year

2001 0.005834305717619603 2002 0.002333722287047841 2003 0.01633605600933489 2004 0.014002333722287048 2005 0.028004667444574097 2006 0.019836639439906652 2007 0.038506417736289385 2008 0.059509918319719954 2009 0.09334889148191365 2010 0.17969661610268378 2011 0.25787631271878647 2012 0.3185530921820303 2013 0.34772462077012833 2014 0.40840140023337224 2015 0.5402567094515752 2016 0.45274212368728123 2017 0.5495915985997666 2018 0.6126021003500584 2019 0.7817969661610268 2020 0.47024504084014 2021 0.4574095682613769 2022 0.7957992998833139 2023 1.0 2024 0.8903150525087514 2025 0.6651108518086347 2026 0.23337222870478413 2027 0.0

Keywords

catalyst 1.0 target 0.9619878716166248 docking 0.23532021890252922 potential 0.20248483952078095 novel 0.1900606419168762 activity 0.1680224818813785 synthesis 0.08933589705664842 active 0.08194054134003846 design 0.0704037864221269 binding 0.06818517970714391 synthesized 0.06774145836414731 pharmacophore 0.06581866587782872 analysis 0.06419168762017453 between 0.05531726076024257 drug 0.04984469752995119 compound 0.04940097618695459 promising 0.04274515604200562 potent 0.03682887146871765 development 0.03135630823842627 reaction 0.024552580979145096 chemical 0.022777695607158706 energy 0.019819553320514716 inhibition 0.010649312231918355 medicinal 0.009022333974264163 well 0.0
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