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Mark D Shenderovich

Mark D Shenderovich

Mol3D Research,

Principal and CSO


Mark D. Shenderovich, PhD, principal and CSO of Mol3D Research, LLC, is computational chemist and molecular modeler with 15 year experience of computer-aided drug design in biopharmaceutical industry and more than 25 years of overall research experience. Mark has extensive experience in many aspects of CADD including structure- and ligand-based design, protein homology modeling, protein-ligand and protein-protein docking, virtual ligand screening, evaluation of protein-ligand binding affinities, molecular dynamics and Monte Carlo simulations, pharmacophore modeling and QSAR.He made critical contribution to discovery of IND candidate for Hsp90, and contributed to design of pre-clinical candidates for protein tyrosine phosphatase, protein kinase and cancer metabolism targets. In collaboration with Quest Diagnostics Inc. he developed Structural Phenotyping technology that provided 90% accurate predictions for resistance of clinical HIV-1 variants to commercial HIV protease inhibitors. As Scientist III, In-silico Chemistry in Myrexis / Myriad Pharmaceuticals, Inc. (2005-2011), Mark did computer-aided drug design for medicinal chemistry department consisting of 20+ synthetic chemists. He supervised molecular modeling facility and was involved in many drug design projects for cancer, virology and CNS targets. From 1997 to 2005 Mark worked as Senior and Principal Scientist at Cengent Therapeutics in San Diego, CA, where he was involved in various projects on protein modeling, virtual screening, and structure-based lead optimization. He was PI of NIH funded SBIR Grant and supervised a group of PhD scientists. Mark was a Head of Research Group for Molecular Biophysics (1990-1992) in the Latvian Institute of Organic Synthesis, Riga, Latvia. He holds PhD degree in biophysics from Belarusian National Academy of Sciences, Minsk, Belarus, and he did post-doctoral studies in computational chemistry with Professor Victor J. Hruby at the University of Arizona. He is a co-inventor of 9 US and international patents, and co-author of more than 60 peer reviewed publications.


Molecular modeling, computer-aided drug design, computational chemistry, medicinal chemistry.