Marc C. Nicklaus
Chemical Biology Laboratory
The Center for Cancer Research
United States of America
Biography
Dr. Nicklaus received his Ph.D. in applied physics from the Eberhards-Karls-Universitat, Tubingen, Germany, and then served as a postdoctoral fellow in the Molecular Modeling Section of the then called Laboratory of Medicinal Chemistry, NCI. He became a staff fellow in 1998, and a Senior Scientist in 2002. In 2000, he founded, and has been heading since then, the Computer-Aided Drug Design (CADD) Group.
Research Interest
Biomedical Engineering and Biophysics, Chemical Biology, Computational Biology, Structural Biology
Publications
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Enhanced CACTVS browser of the Open NCI Database. Ihlenfeldt WD, Voigt JH, Bienfait B, Oellien F, Nicklaus MC. J Chem Inf Comput Sci. 42: 46-57, 2002.
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Tautomerism in large databases. Sitzmann M, Ihlenfeldt WD, Nicklaus MC. J. Comput. Aided Mol. Des.. 24: 521-51, 2010
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PDB ligand conformational energies calculated quantum-mechanically. Sitzmann M, Weidlich IE, Filippov IV, Liao C, Peach ML, Ihlenfeldt WD, Karki RG, Borodina YV, Cachau RE, Nicklaus MC. J Chem Inf Model. 52: 739-56, 2012.
