Quantum Mechanics/Molecular Mechanics: Developments and Applications

Presentations

• Modeling Enzymatic Reactions in Proteins.

  COFFEE_KLATCH · Invited

  March 7, 2007, 12:30 PM – March 7, 2007, 1:06 PM

  Authors

  • Richard Friesner

    • Columbia University

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• Challenges and advances in QM/MM methods for studies of energetics and dynamics of biological systems

  COFFEE_KLATCH · Invited

  March 7, 2007, 1:06 PM – March 7, 2007, 1:42 PM

  Authors

  • Arieh Warshel

    • University of Southern California

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• QM/MM in complex systems using SCC-DFTB and its implementation in Amber.

  COFFEE_KLATCH · Invited

  March 7, 2007, 1:42 PM – March 7, 2007, 2:18 PM

  Authors

  • Adrian Roitberg

    • University of Florida

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• Improved QM Methods and Their Application in QM/MM Studies of Enzymatic Reactions

  COFFEE_KLATCH · Invited

  March 7, 2007, 2:18 PM – March 7, 2007, 2:54 PM

  Authors

  • William L. Jorgensen

    • Dept. of Chemistry, Yale University

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• Local and global refinement of electronic and structural properties of proteins via QM/MM

  COFFEE_KLATCH · Invited

  March 7, 2007, 2:54 PM – March 7, 2007, 3:30 PM

  Authors

  • Jose Gascon

    • University of Connecticut

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