BUFF: A Biological Universal Forcefield Derived from Quantum Mechanics
Thesis by Matt J. Carlson
Chapter 1: Approximating Chemistry
Introduction
Molecular Modeling
Quantum Mechanics
Molecular Mechanics
References
Chapter 2: Development of a Biological Universal Forcefield
Abstract
Introduction
Methods
Parameterization
Validation and Comparison Studies
Conclusion
References
Chapter 3: An Examination of Solvent Effects on Peptide Torsions
Abstract
Introduction
Methods
Results
Discussion
Conclusion
References