Academic Achievements Link to heading

These achievements are meaningless. Nobody cares. Simply nobody.

Education Link to heading

• Summa cum laude M.S. in Molecular and Chemical Biophysics (1980) Moscow Inst. Physics & Technology
• Ph.D. in Biophysics (1984) Moscow State University. Thesis: Diffraction theory and Protein Structure Prediction

Academic and Executive Positions: Link to heading

• Liege, Belgium: Visiting Scientist
• EMBL, Heidelberg: Staff Scientist (1990-1994)
• New York University, Tenured Associate Professor of Biochemistry and Mathematics (1994-1999)
  • NYU Medical School
  • The Courant Institute of Mathematics
  • Head of Computational Biology & IT at Skirball Institute of Biomolecular Medicine, New York
• Director of Computational Biology and Chemistry at Novartis Institute, GNF (1999-2002)
• The Scripps Research Institute, La Jolla: Professor
• University of California, San Diego: Professor

Awards and Honors: Link to heading

• Two CapCure awards for excellence in prostate cancer research (2000, 2002)
• Princess Diana Award and Medal, Sydney (2003)
• UCSD Faculty and Staff Excellence Award (2007)
• AACP’s 2016 Teacher of the Year Award
• SSPPS Student-voted Faculty of the Year Award (2018)
• H-index: 102 , Citations 46,800
• Recognition as top 1% most performing and cited faculty, Clarivate HCR (2018)

Panels and Committees: Link to heading

• Structure-Based Drug Discovery Chair, MipTec, Basel, Switzerland (2002-2009)
• Founder of MolSoft (1994)
• Member of the Board of Directors of Syrrx (2001-2002)
• SAB Member of Plexus Vaccines (2001-2003)

Editorial Boards (Current): Link to heading

• Endocrine Disruptors
• American Journal of Pharmaceutical Toxicology
• Cancer Genomics and Proteomics
• IUPAC Glossary Committee
• Journal of Computer-Aided Molecular Design

Steering and Advisory Committee Memberships: Link to heading

• UCSD Bioinformatics and Systems Biology Graduate Program ( 1999 - present )
• Hong Kong State Key Laboratory for Chemical Biology ( 2008 - present )
• Swiss NSF NCCR- Transcure Center ( 2010 - 2022 )

Review Panel Memberships: Link to heading

• European Research Council Synergy Panels, Brussels, EU (2018, 2019, 2022, 2023, 2024, 2025)

Teaching. Course Co-Directorships: Link to heading

• Pharmaceutical Chemistry II, Physical Pharmacology (SPPS 222)
• Principles of Pharmaceutical Sciences and Drug Development (SPPS 263A)
• Bioinformatics and Systems Biology Research Seminar (BNF 199)
• Training SSPPS students, UCSD undergraduates

UCSD Committees Link to heading

• SSPPS CEP
• SSPPS CEP-AI

Key Contributions Link to heading

1. Internal Coordinate Mechanics (ICM), formulation, algorithms, and code, for structure sampling, dynamics, molecular docking, peptide and protein docking, drug candidate screening.
2. Stochastic global conformational sampling and global energy minimum search for multi-molecular ensembles in internal coordinates with collective (fragment) moves, square-root sampling. Ligand-Guided modeling of large dynamic proteins to predict alternative structural and functional states.
3. The Pocketome definition and derivation of all small molecule binding pockets with receptor flexibility and multiple ligands for target profiling and pharmacology prediction of leads and drugs.
4. Structure-based discovery of drug candidates with multi-target properties or with improved profiles in oncology, neurodegenerative diseases, viral, and parasitic infectious diseases. Several leads in clinical trials.