Preston Moore PhD

Preston Moore

Preston Moore PhD

Director, West Center for Computational Chemistry and Drug Design
Professor of Chemistry & Biochemistry

Education

BS (Bates College)

PhD (Boston University)

Research Interests

The development and use of condensed phase, molecular simulation methods to investigate chemical problems. Simulating molecular dynamics of lipid bilayers, membrane proteins, ion channels, and the spectroscopy of molecular liquids. For more information, see the Dr. Preston Moore's research group site.

Synopsis

My research focuses on the development and use of condensed phase, molecular simulation methods to investigate chemical problems. An understanding of the fundamental physical laws governing the interactions between atoms and molecules can be used to describe complex biological systems.

The ideas I am pursuing are united by a common theme: unraveling the structure, dynamics, and thermodynamics of complex chemical systems such as proteins, molecular liquids, and lipid bilayers. Great success has been achieved using molecular mechanics to describe the behavior and structure of biological molecules, and ever-increasing computational power allows for larger and more complex systems to be investigated. Theoretical chemistry, chemical physics, and computational chemistry, as applied to model biological systems, are a powerful combination for a research program addressing interesting and timely questions in biology and chemistry.

My current research focuses on the molecular dynamics simulation of lipid bilayers, membrane proteins, ion channels, and the spectroscopy of molecular liquids. My group uses simulation and collaborations with experimentalists to interrogate the structure, dynamics, and interactions of these chemically and biologically complex problems. Currently, I am investigating coarse grain models of lipid bilayers and proteins. These models have recently been shown to be surprisingly robust.

My research also includes the development and application of new computer modeling techniques. For example, we continue to develop our stateof-the-art, parallel molecular dynamics code. This code takes full advantage of recent algorithmic developments and new parallel computer technology, which allows us to investigate ever larger and more complex systems.

Selected Scholarly Activity

Molecular dynamics study of homo-oligomeric ion channels: Structures of the surrounding lipids and dynamics of water movement: Thuy Hien Nguyen, Catherine C. Moore, Preston B. Moore, and Zhiwei Liu doi:10.3934/biophy.2018.1.50 AIMS Biophysics, 5(1):50-76 (2018)

Coordinated Responsive Arrays of Surface Linked Polymer Islands – CORALs: Oleg Davydovich, Elza Chu, Zachary Friar, Detlef-M. Smilgies, Preston B Moore, and Alexander Sidorenko DOI:10.1021/acsami.7b18305 ACS Appl. Mater. Interfaces, 10:7459-7468 (2018)

Computational Study of Intramolecular Heterocyclic Ring Formation with Cyclic Phosphazenes; Whelton A. Miller III and Preston B. Moore DOI:IJERTV3IS080927 IJERT 3:1575 (2015)

A Quantum Mechanical Study of Structural and Electronic Dilution Effects in Paramagnetic Chemical Exchange Saturatoin Transfer Agents; Whelton A. Miller III and Preston B. Moore DOI:10.3844/jobsp.2014.1.13 J. Org. Biomolecular Sim 1,1:1-13 (2014)

Are Slater's Rules the Best Approach for Calculating Effective Nuclear Charge for Undergraduates; Preston B. Moore and Edward Birnbaum, DOI 10.1007/s000897132561a The Chemical Educator 19:232-235 (2014)

Molecular Dynamics Simulations of Homo-oligomeric Bundles Embedded within a Lipid Bilayer Thuy Hien T. Nguyen, Zhiwei Liu, and Preston B. Moore Biophysical J 105, 1569 DOI:10.1016/j.bpj.2013.07.053 (2013)

Contact Information

Office location: Griffith Hall Room 260A
Mailing address: Box 48
University of Sciences
600 South 43rd Street
Philadelphia, PA 19104-4495
Office Phone: 215-596-7537
Email:

p [dot] moore [at] usciences [dot] edu