Date of Award
1-1-2015
Language
English
Document Type
Master's Thesis
Degree Name
Master of Science (MS)
College/School/Department
Department of Chemistry
Content Description
1 online resource (v, 62 pages) : color illustrations.
Dissertation/Thesis Chair
Alan A Chen
Committee Members
Memhet Yigit, Charles Scholes
Keywords
RNA, Protein folding, Molecular dynamics
Subject Categories
Chemistry
Abstract
Simulations of biochemical systems are being increasingly used to further our understanding of those systems. In broad strokes, chemical simulations can be broken into two categories, those that are rooted in a quantum mechanical approach and those that are classically rooted. Molecular dynamics is one such classical method, which propagates motion of a chemical system via repeatedly solving Newton’s Laws of motion. This approach is less computationally intensive than the quantum mechanical methods and allows for the simulation of systems of tens of thousands of atoms, if not more.
Recommended Citation
Setaro, Angelo Christopher, "Molecular dynamics simulations of small systems to improve base pairing parameters of the AMBER-99 force field" (2015). Legacy Theses & Dissertations (2009 - 2024). 1501.
https://scholarsarchive.library.albany.edu/legacy-etd/1501