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1.
55053 Accesses
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Toward a general theory of evolution: Extending Darwinian theory to inanimate matter
Addy Pross Journal of Systems Chemistry 2011, 2:1 (7 June 2011)
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2.
37557 Accesses
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Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks
Declan P Naughton, Andrea Petróczi Chemistry Central Journal 2008, 2:22 (30 October 2008)
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3.
36593 Accesses
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Cacao seeds are a "Super Fruit": A comparative analysis of various fruit powders and products
Stephen J Crozier, Amy G Preston, Jeffrey W Hurst, Mark J Payne, Julie Mann, Larry Hainly, Debra L Miller Chemistry Central Journal 2011, 5:5 (7 February 2011)
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4.
34963 Accesses
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PocketPicker: analysis of ligand binding-sites with shape descriptors
Martin Weisel, Ewgenij Proschak, Gisbert Schneider Chemistry Central Journal 2007, 1:7 (13 March 2007)
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5.
33554 Accesses
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Different extraction methods of biologically active components from propolis: a preliminary study
Boryana Trusheva, Dorina Trunkova, Vassya Bankova Chemistry Central Journal 2007, 1:13 (7 June 2007)
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6.
21542 Accesses
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Chemistry in Second Life
Andrew SID Lang, Jean-Claude Bradley Chemistry Central Journal 2009, 3:14 (23 October 2009)
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7.
19357 Accesses
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PubChemSR: A search and retrieval tool for PubChem
Junguk Hur, David J Wild Chemistry Central Journal 2008, 2:11 (15 May 2008)
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8.
18529 Accesses
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Open access and open source in chemistry
Matthew H Todd Chemistry Central Journal 2007, 1:3 (19 February 2007)
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Editor’s summary
Matthew Todd, University of Sydney, discusses open access and open source, with recent examples relevant to chemistry, highlighting the differences between the two, and the strengths of both.
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9.
18217 Accesses
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Graphite furnace atomic absorption spectrometry as a routine method for the quantification of beryllium in blood and serum
Chadi H Stephan, Michel Fournier, Pauline Brousseau, Sébastien Sauvé Chemistry Central Journal 2008, 2:14 (2 July 2008)
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10.
18148 Accesses
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Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream
Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony J Williams, Tatiana Churanova Journal of Cheminformatics 2009, 1:3 (17 March 2009)
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11.
17601 Accesses
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Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl, Ansgar Schuffenhauer Journal of Cheminformatics 2009, 1:8 (10 June 2009)
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12.
16782 Accesses
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Molecular structure input on the web
Peter Ertl Journal of Cheminformatics 2010, 2:1 (2 February 2010)
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13.
16147 Accesses
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Evaluation of Biologically Active Compounds from Calendula officinalis Flowers using Spectrophotometry
Monica Butnariu, Cristina Coradini Chemistry Central Journal 2012, 6:35 (27 April 2012)
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14.
15443 Accesses
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Acid mine drainage biogeochemistry at Iron Mountain, California
Gregory K Druschel, Brett J Baker, Thomas M Gihring, Jillian F Banfield Geochemical Transactions 2004, 5:13 (30 June 2004)
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15.
15415 Accesses
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Virtual screening of bioassay data
Amanda C Schierz Journal of Cheminformatics 2009, 1:21 (22 December 2009)
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16.
15092 Accesses
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Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Noel M O'Boyle, Chris Morley, Geoffrey R Hutchison Chemistry Central Journal 2008, 2:5 (9 March 2008)
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17.
14854 Accesses
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Linked open drug data for pharmaceutical research and development
Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Kallesøe, Egon Willighagen, Janos Hajagos, M Marshall, Eric Prud'hommeaux, Oktie Hassanzadeh, Elgar Pichler, Susie Stephens Journal of Cheminformatics 2011, 3:19 (16 May 2011)
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18.
14183 Accesses
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Determination of metal ion content of beverages and estimation of target hazard quotients: a comparative study
Theresa Hague, Andrea Petroczi, Paul LR Andrews, James Barker, Declan P Naughton Chemistry Central Journal 2008, 2:13 (25 June 2008)
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19.
13665 Accesses
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Rapid and mobile determination of alcoholic strength in wine, beer and spirits using a flow-through infrared sensor
Dirk W Lachenmeier, Rolf Godelmann, Markus Steiner, Bob Ansay, Jürgen Weigel, Gunther Krieg Chemistry Central Journal 2010, 4:5 (23 March 2010)
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20.
13587 Accesses
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Open Babel: An open chemical toolbox
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison Journal of Cheminformatics 2011, 3:33 (7 October 2011)
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The first publication reporting the features, implementation and validation of the open source chemical toolbox - Open Babel - is described, which includes a summary of key advances in the 2.3 release
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21.
13360 Accesses
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Spectrophotometric determination of etodolac in pure form and pharmaceutical formulations
Ayman A Gouda, Wafaa S Hassan Chemistry Central Journal 2008, 2:7 (14 April 2008)
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22.
13248 Accesses
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A multipurpose immobilized biocatalyst with pectinase, xylanase and cellulase activities
Sohel Dalal, Aparna Sharma, Munishwar Gupta Chemistry Central Journal 2007, 1:16 (8 June 2007)
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23.
12904 Accesses
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Antioxidant activity of noni juice in heavy smokers
Mian-Ying Wang, M Nawal Lutfiyya, Vicki Weidenbacher-Hoper, Gary Anderson, Chen X Su, Brett J West Chemistry Central Journal 2009, 3:13 (6 October 2009)
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24.
12167 Accesses
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Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Marcus D Hanwell, Donald E Curtis, David C Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R Hutchison Journal of Cheminformatics 2012, 4:17 (13 August 2012)
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The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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25.
12148 Accesses
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Effect of carboxymethyl cellulose concentration on physical properties of biodegradable cassava starch-based films
Wirongrong Tongdeesoontorn, Lisa J Mauer, Sasitorn Wongruong, Pensiri Sriburi, Pornchai Rachtanapun Chemistry Central Journal 2011, 5:6 (10 February 2011)
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26.
11828 Accesses
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Welcome Home, Systems Chemists!
Günter von Kiedrowski, Sijbren Otto, Piet Herdewijn Journal of Systems Chemistry 2010, 1:1 (18 August 2010)
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27.
11220 Accesses
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Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
Zsolt Bikadi, Eszter Hazai Journal of Cheminformatics 2009, 1:15 (11 September 2009)
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28.
11191 Accesses
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GC-MS studies of the chemical composition of two inedible mushrooms of the genus Agaricus
Assya Petrova, Kalina Alipieva, Emanuela Kostadinova, Daniela Antonova, Maria Lacheva, Melania Gjosheva, Simeon Popov, Vassya Bankova Chemistry Central Journal 2007, 1:33 (20 December 2007)
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29.
10807 Accesses
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Phosphorus retention in calcareous soils and the effect of organic matter on its mobility
Ray von Wandruszka Geochemical Transactions 2006, 7:6 (12 June 2006)
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Editor’s summary
A survey of the interactions between phosphorus (P) species and the components of calcareous soils shows that both surface reactions and precipitation take place, especially in the presence of calcite and limestone.
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30.
10509 Accesses
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The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files
Robert J Lancashire Chemistry Central Journal 2007, 1:31 (7 December 2007)
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31.
10464 Accesses
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Small Molecule Subgraph Detector (SMSD) toolkit
Syed Rahman, Matthew Bashton, Gemma L Holliday, Rainer Schrader, Janet M Thornton Journal of Cheminformatics 2009, 1:12 (10 August 2009)
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32.
10175 Accesses
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Chemical analysis of Greek pollen - Antioxidant, antimicrobial and proteasome activation properties
Konstantia Graikou, Suzanne Kapeta, Nektarios Aligiannis, George Sotiroudis, Niki Chondrogianni, Efstathios Gonos, Ioanna Chinou Chemistry Central Journal 2011, 5:33 (23 June 2011)
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33.
10095 Accesses
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Selective masking and demasking for the stepwise complexometric determination of aluminium, lead and zinc from the same solution
Nijhuma Kayal, Nahar Singh Chemistry Central Journal 2008, 2:4 (6 March 2008)
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34.
9817 Accesses
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Collaborative development of predictive toxicology applications
Barry Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Joerg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry Druzhilovsky, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel, Sylvia Escher et al.
Journal of Cheminformatics 2010, 2:7 (31 August 2010)
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35.
9799 Accesses
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Preparation and magnetic properties of nano size nickel ferrite particles using hydrothermal method
Kamellia Nejati, Rezvanh Zabihi Chemistry Central Journal 2012, 6:23 (30 March 2012)
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36.
9677 Accesses
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Predicting olfactory receptor neuron responses from odorant structure
Michael Schmuker, Marien de Bruyne, Melanie Hähnel, Gisbert Schneider Chemistry Central Journal 2007, 1:11 (4 May 2007)
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Editor’s summary
Olfactory coding was mimicked by modeling responses of primary olfactory neurons to small molecules using a large set of physicochemical molecular descriptors and artificial neural networks.
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37.
9606 Accesses
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Microbial sulfate reduction and metal attenuation in pH 4 acid mine water
Clinton D Church, Richard T Wilkin, Charles N Alpers, Robert O Rye, R Blaine McCleskey Geochemical Transactions 2007, 8:10 (23 October 2007)
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38.
9590 Accesses
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Freezing point osmometry of milk to determine the additional water content – an issue in general quality control and German food regulation
Britta Büttel, Markus Fuchs, Birger Holz Chemistry Central Journal 2008, 2:6 (10 March 2008)
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39.
9537 Accesses
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Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell Journal of Cheminformatics 2009, 1:14 (25 August 2009)
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40.
9520 Accesses
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Humic acids: Their detergent qualities and potential uses in pollution remediation
Ray von Wandruszka Geochemical Transactions 2000, 1:10 (12 April 2000)
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41.
9414 Accesses
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Heavy metals health risk assessment for population via consumption of vegetables grown in old mining area; a case study: Banat County, Romania
Monica Harmanescu, Liana Alda, Despina Bordean, Ioan Gogoasa, Iosif Gergen Chemistry Central Journal 2011, 5:64 (22 October 2011)
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42.
9308 Accesses
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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V Filippov, Robert M Hanson, Marcus D Hanwell, Geoffrey R Hutchison, Craig A James, Nina Jeliazkova, Andrew SID Lang, Karol M Langner, David C Lonie, Daniel M Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L Tenderholt, Kevin J Theisen, Peter Murray-Rust Journal of Cheminformatics 2011, 3:37 (14 October 2011)
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The work carried out by the Blue Obelisk movement over the last five years is described, with a discussion of the current progress and future challenges in Open Data, Open Standards, and Open Source in chemistry
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43.
9264 Accesses
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Computational molecular characterization of the flavonoid rutin
Sergio A Payán-Gómez, Norma Flores-Holguín, Antonino Pérez-Hernández, Manuel Piñón-Miramontes, Daniel Glossman-Mitnik Chemistry Central Journal 2010, 4:12 (22 June 2010)
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44.
9193 Accesses
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Automated extraction of chemical structure information from digital raster images
Jungkap Park, Gus R Rosania, Kerby A Shedden, Mandee Nguyen, Naesung Lyu, Kazuhiro Saitou Chemistry Central Journal 2009, 3:4 (5 February 2009)
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45.
9083 Accesses
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Antioxidant activity relationship of phenolic compounds in Hypericum perforatum L.
Dejan Z Orčić, Neda M Mimica-Dukić, Marina M Francišković, Slobodan S Petrović, Emilija Đ Jovin Chemistry Central Journal 2011, 5:34 (25 June 2011)
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46.
9077 Accesses
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Facile solution-phase synthesis of γ-Mn3O4 hierarchical structures
Zhengcui Wu, Kuai Yu, Yaobin Huang, Cheng Pan, Yi Xie Chemistry Central Journal 2007, 1:8 (17 March 2007)
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47.
9001 Accesses
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Hollow mesoporous silica nanoparticles for intracellular delivery of fluorescent dye
Huichen Guo, Haisheng Qian, Shiqi Sun, Dehui Sun, Hong Yin, Xuepeng Cai, Zaixin Liu, Jinyan Wu, Tao Jiang, Xiangtao Liu Chemistry Central Journal 2011, 5:1 (5 January 2011)
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48.
8958 Accesses
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Solvent effect on the spectral properties of Neutral Red
Muhammad A Rauf, Ahmed A Soliman, Muhammad Khattab Chemistry Central Journal 2008, 2:19 (18 September 2008)
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49.
8926 Accesses
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Isolation, purification, and full NMR assignments of cyclopamine from Veratrum californicum
John E Oatis, Pam Brunsfeld, James W Rushing, Peter D Moeller, Daniel W Bearden, Thomas N Gallien, George Cooper Chemistry Central Journal 2008, 2:12 (24 June 2008)
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50.
8902 Accesses
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MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters
Rui MV Abreu, Hugo JC Froufe, Maria Queiroz, Isabel CFR Ferreira Journal of Cheminformatics 2010, 2:10 (28 October 2010)
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