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, 10:15 AM – March 11, 2008, 10:51 AM

  Authors

  • Thomas Cheatham

    • University of Utah

  View abstract →

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

  COFFEE_KLATCH · Invited

  March 11, 2008, 10:51 AM – March 11, 2008, 11:27 AM

  Authors

  • Alexander MacKerell

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

  View abstract →

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

  COFFEE_KLATCH · Invited

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

  Authors

  • Emilio Gallicchio

    • BioMaPS Institute, Rutgers University

  View abstract →

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

  COFFEE_KLATCH · Invited

  March 11, 2008, 12:03 PM – March 11, 2008, 12:39 PM

  Authors

  • Carlos L. Simmerling

    • Stony Brook University

  View abstract →

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

  COFFEE_KLATCH · Invited

  March 11, 2008, 12:39 PM – March 11, 2008, 1:15 PM

  Authors

  • Adrian Roitberg

    • Department of Chemistry. University of Florida

  View abstract →