Steered Molecular Dynamics. - Sergei Izrailev; Sergey B. Stepaniants; Barry Isralewitz; Dorina Kosztin; Hui Lu; Ferenc Molnár; Willy Wriggers; Klaus Schulten (Computational Molecular Dynamics, 1999)

A Novel Method for Building Regression Tree Models for QSAR Based on Artificial Ant Colony Systems. - Sergei Izrailev; Dimitris K. Agrafiotis (J. Chem. Inf. Comput. Sci., 2001)

Conformational Sampling by Self-Organization. - Huafeng Xu; Sergei Izrailev; Dimitris K. Agrafiotis (J. Chem. Inf. Comput. Sci., 2003)

A distance geometry heuristic for expanding the range of geometries sampled during conformational search. - Sergei Izrailev; Fangqiang Zhu; Dimitris K. Agrafiotis (J. Comput. Chem., 2006)

Advanced Biological and Chemical Discovery (ABCD): Centralizing Discovery Knowledge in an Inherently Decentralized World. - Dimitris K. Agrafiotis; Simson Alex; Heng Dai; An Derkinderen; Michael Farnum; Peter Gates; Sergei Izrailev; Edward P. Jaeger; Paul Konstant; Albert Leung; Victor S. Lobanov; Patrick Marichal; et al. (J. Chem. Inf. Model., 2007)

Conformational Sampling of Bioactive Molecules: A Comparative Study. - Dimitris K. Agrafiotis; Alan C. Gibbs; Fangqiang Zhu; Sergei Izrailev; Eric J. Martin (J. Chem. Inf. Model., 2007)

Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge. - Dimitris K. Agrafiotis; Victor S. Lobanov; Maxim Shemanarev; Dmitrii N. Rassokhin; Sergei Izrailev; Edward P. Jaeger; Simson Alex; Michael Farnum (J. Chem. Inf. Model., 2011)

Machine Learning at Scale. - Sergei Izrailev; Jeremy M. Stanley (CoRR, 2014)