Computational challenges for modeling and simulating biomacromolecular assemblies

Ed Uberbacher, Philip LoCascio, Sergey Passovets, Pavan Ghattyvenkatakrishna, Pratul Agarwal, Nikita Arnold, Andrew Bordner, Andrey Gorin

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Understanding the structure and dynamics of large biomolecular assemblies requires the development of new computational methods for (i) accurate structure prediction, (ii) molecular docking and (iii) long time-frame molecular simulation, and implementation on massively parallel computing infrastructure. This paper reviews our progress in these areas and applications on important molecular systems.

Original languageEnglish (US)
Article number043
Pages (from-to)311-315
Number of pages5
JournalJournal of Physics: Conference Series
Issue number1
StatePublished - Oct 1 2006

ASJC Scopus subject areas

  • General Physics and Astronomy


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