| Peer-reviewed articles | |
| 2009 | |
| [11] | Docking & chemoinformatic screens for new ligands and targets. Peter Kolb, Rafaela S. Ferreira, John J. Irwin, and Brian K. Shoichet Curr. Op. Biotech. 2009, 20, 429-436. [review] [pdf] |
| [10] | Docking screens: right for the right reasons? Peter Kolb, and John J. Irwin Curr. Top. Med. Chem. 2009, 9, 755-770. [review] [pdf] |
| [9] | Structure-based discovery of β2-adrenergic receptor ligands. Peter Kolb†, Daniel M. Rosenbaum†, John J. Irwin, Juan José Fung, Brian K. Kobilka*, and Brian K. Shoichet* Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 6843-6848. [pdf] [sup] [Comment @ Curious Wavefunction] |
| [8] | Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans: a close relative of Phosphotriesterase in the Amidohydrolase Superfamily. Dao Feng Xiang, Peter Kolb, Alexander A. Fedorov, Monika M. Meier, Elena V. Fedorov, Tinh T. Nguyen, Reinhard Sterner*, Steven C. Almo*, Brian K. Shoichet*, and Frank M. Raushel* Biochemistry 2009, 48, 2237-2247. [pdf] [sup] |
| 2008 | |
| [7] | A double-headed Cathepsin B inhibitor devoid of warhead. Patricia Schenker, Pietro Alfarano, Peter Kolb, Amedeo Caflisch, and Antonio Baici Prot. Sci. 2008, 17, 2145-2155. [pdf] [sup] |
| [6] | Structure-based tailoring of compound libraries for high-throughput screening:
Discovery of novel EphB4 kinase inhibitors. Peter Kolb, Catherine Berset Kipouros, Danzhi Huang, and Amedeo Caflisch Proteins: Struct. Funct. Bioinf. 2008, 73, 11-18. [pdf] [sup] |
| [5] | Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear
interaction energy model. Peter Kolb†, Danzhi Huang†, Fabian Dey†, and Amedeo Caflisch J. Med. Chem. 2008, 51, 1179-1188. [pdf] [sup] |
| 2006 | |
| [4] | Automatic and efficient decomposition of two-dimensional structures of
small molecules for fragment-based high-throughput docking. Peter Kolb*, and Amedeo Caflisch* J. Med. Chem. 2006, 49, 7384-7392. [pdf] |
| [3] | In silico discovery of β-secretase inhibitors. Danzhi Huang, Urs Lüthi, Peter Kolb, Marco Cecchini, Alcide Barberis, and Amedeo Caflisch J. Am. Chem. Soc. 2006, 128, 5436-5443. [pdf] [sup] |
| 2005 | |
| [2] | Discovery of cell-permeable nonpeptide inhibitors of
β-secretase. Danzhi Huang, Urs Lüthi, Peter Kolb, Karin Edler, Marco Cecchini, Stephan Audétat, Alcide Barberis, and Amedeo Caflisch J. Med. Chem. 2005, 48, 5108-5111. [pdf] [sup] |
| 2004 | |
| [1] | Automated docking of highly flexible ligands by genetic algorithms:
A critical assessment. Marco Cecchini, Peter Kolb, Nicolas Majeux, and Amedeo Caflisch J. Comput. Chem. 2004, 25, 412-422. [pdf] |
| †these authors contributed equally. *co-corresponding authors. | |
| Book chapters | |
| [2] | Fragment-based High-throughput Docking and Library Tailoring. Peter Kolb In: Rachelle J. Bienstock (Ed.) Library Design, Search Methods and Applications of Fragment based Drug Design. ACS Books, 2010, submitted. |
| [1] | Fragment-based high-throughput docking. Peter Kolb, Marco Cecchini, Danzhi Huang, and Amedeo Caflisch In: Juan Alvarez and Brian K. Shoichet (Eds.) Virtual Screening. CRC Press, 2005, 349-378. [pdf] |