Effective Potentials and Force Fields for Simulating Biological Macromolecules

Presentations

• Artifact or reality? Force field issues in the simulation proteins and nucleic acids

  COFFEE_KLATCH · Invited

  March 11, 2008, 11:15 AM – March 11, 2008, 11:51 AM

  Authors

  • Thomas Cheatham

    University of Utah

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• Development of a polarizable force field based on the classical Drude oscillator

  COFFEE_KLATCH · Invited

  March 11, 2008, 11:51 AM – March 11, 2008, 12:27 PM

  Authors

  • Alexander MacKerell

    Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland

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• The AGBNP implicit solvent model: recent advances and applications to biological macromolecules

  COFFEE_KLATCH · Invited

  March 11, 2008, 12:27 PM – March 11, 2008, 1:03 PM

  Authors

  • Emilio Gallicchio

    BioMaPS Institute, Rutgers University

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• Atomic-level simulations of biomolecular systems with a modified Amber force field

  COFFEE_KLATCH · Invited

  March 11, 2008, 1:03 PM – March 11, 2008, 1:39 PM

  Authors

  • Carlos L. Simmerling

    Stony Brook University

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• Beyond force fields. QM/MM conformational searches in biomolecules using Replica Exchange molecular dynamics.

  COFFEE_KLATCH · Invited

  March 11, 2008, 1:39 PM – March 11, 2008, 2:15 PM

  Authors

  • Adrian Roitberg

    Department of Chemistry. University of Florida

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