Plugging the explicit σ-holes in molecular docking†
Abstract
A novel approach in molecular docking was successfully used to reproduce
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* Corresponding authors
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
A novel approach in molecular docking was successfully used to reproduce
M. Kolář, P. Hobza and A. K. Bronowska, Chem. Commun., 2013, 49, 981 DOI: 10.1039/C2CC37584B
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