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High performance computing (HPC)
Vlad Kholodovych, Ph.D.
Vlad Kholodovych obtained his Master of Science degree in Chemistry from the Kiev State University (Ukraine) in 1993. Working under the supervision of Profs. Vladimir Kibirev and Vladimir Khilya, he completed his thesis combining both the development of new fluorescent substrates for blood coagulation enzymes and the optimization of peptide synthesis. Vladyslav received his PhD degree in Chemistry under the mentorship of Prof. Alexander Luik working on physiologically active compounds from the Institute of Bioorganic Chemistry and Petrochemistry (Kiev, Ukraine). His work with Dr. Luik comprised the computer modeling, organic synthesis and biological validation of the mechanism of action of the natural immunomodulator tuftsin and its analogues. For this work Vlad was granted the Stipendiary Award of the Ukrainian National Academy of Sciences twice in 1999 and 2000 and named the leader of Computational Group for the Institute. In 2001 he joined Prof. William Welsh as a research associate, first at the University of Missouri-St. Louis and more recently at the University of Medicine and Dentistry of New Jersey (UMDNJ), Robert Wood Johnson Medical School. He has been engaged in various research projects involving rational drug design, pattern recognition, computational biology, polymer compositions, nuclear hormone receptors and biodegradable materials.
He was awarded the Young Investigator Award (2002) and the Research Achievement Award (2002 and 2003) at UMDNJ. He is a member of the Informatics Institute of UMDNJ and the New Jersey Center for Biomaterials.
Dr. Kholodovych is a recipient of prestigious Alexander von Humboldt (AvH) fellowship for Experienced Researches (2010-2012). As it states on the AvH website (http://avh.de) the Foundation sponsors exceptionally qualified scientists and scholars and its main goal is to target the academic elites to establish new productive collaborations between bright scientists from Germany and other countries. Together with his scientific host in Germany Dr. Igor Tetko and his team Dr. Kholodovych works for developing the Online Chemical Modeling Environment (OCHEM) – the web platform for data storage, model development and publishing of chemical information (http://ochem.eu).
Since July 2011 Dr. Kholodovych is a member of the High Performance and Research Computing (HP&RC) division within OIT/Rutgers Biomedical and Health Sciences (RBHS) headed by Dr. Leslie Michelson.
As a computational modeler Dr. Kholodovych brings to the team his vast experience in the field of chemistry, chemo- and bioinformatics, QSAR, target specific pharmacophore discovery, molecular dynamics, virtual screening and pattern recognition techniques. His recent work spans a developing of selective inhibitors and activators for various nuclear receptors, enzymes and ion channels, including PXR/SXR, opioid receptors, blood coagulation enzymes, CB1, AChE, TAM, hERG, 5HT2b and polymeric materials.
As part of his job Dr. Kholodovych mentors students, organizes training sessions and works closely with faculty scientists on various chemo- and bioinformatics projects.
- Predictive toxicology
- Rational drug design
- Computational biology
- Nuclear hormone receptors
- Polymer compositions and biodegradable materials
- QSAR modeling
- Pattern recognition
- Machine learning algorithms
Areas of expertise
Dr. Kholodovych is an expert in structure- and ligand-based drug design (in particular design of protein kinase inhibitors and nuclear receptors), virtual screening, physical and in silico ADMET property prediction, data mining and analysis and molecular dynamics. In his work at Rutgers Dr. Kholodovych provides computational support for multiple drug discovery projects and assists medicinal and organic chemists in design of new chemical entities as potential drug candidates for anti-cancer, antimicrobial and preventive heart failure treatment.
He is an expert in variety of computational software packages including MOE, Sybyl, Accelrys Discovery Studio and Material Studio, Catalyst, Ingenuity, docking and molecular dynamics programs, Gold, Autodock, Dock, Amber, NAMD.
Awards & honors
- 2010-2012 Humboldt Fellowship for Experienced Researchers
- 2003 Research Achievement Award, UMDNJ, NJ
- 2002 Research Achievement Award, UMDNJ, NJ
- 2002-2003 Young Investigator Award, UMDNJ, NJ
- 1999-2000 Stipendiary Award of the Ukrainian National Academy
- 1998-1999 Stipendiary Award of the Ukrainian National Academy of
- More than 35 peer- reviewed papers and book chapters
- Over 30 presentations at the international and national scientific meetings