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Plugging the explicit σ-holes in molecular docking

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a
Institute of Organic Chemistry and Biochemistry and Gilead Science Research Center, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, 16610 Prague 6, Czech Republic
b
Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Albertov 6, 12843 Prague 2, Czech Republic
c
Department of Physical Chemistry, Palacký University, Olomouc, Czech Republic
d
Faculty of Chemistry, University of Heidelberg, Im Neuenheimer Feld, D-69115 Heidelberg, Germany
e
Heidelberg Institute for Theoretical Studies, Schloss-Wolfsbrunnenweg 35, D-69118 Heidelberg, Germany
E-mail: agnieszka.bronowska@h-its.org;
Fax: +49 6221 533298 ;
Tel: +49 6221 533510
Chem. Commun., 2013,49, 981-983

DOI: 10.1039/C2CC37584B
Received 18 Oct 2012, Accepted 12 Dec 2012
First published online 14 Dec 2012
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