This preliminary program is subject to change.

Molecular Modeling of Biophysical Processes II - Protein Structure and Dynamics


Description:
Molecular Modeling of Biophysical Processes II invites papers that apply computational methodologies to study the structure-dynamics-function relationship of protein systems. Papers that apply computational methods to address more than one scales of a system or apply multiscale methods are very welcome. Papers that aim at developing new methodologies to bridge multiple length- and time-scales are also of interest. Emphasis will be placed in connecting computational studies with experimental observations to gain useful biological insight.

Sponsor:
Bioengineering
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)


Chair:
Jhih-Wei Chu
Assistant Professor
University of California, Berkeley
Chemical Engineering
101A Gilman
Berkeley, CA 94720
Phone Number: 510-642-4398
Fax Number: 510-642-4778
Email: jwchu@berkeley.edu

Co-Chair:
Ravi Radhakrishnan
Assistant Professor
University of Pennsylvania
Department of Bioengineering
210 South 33rd Street
Philadelphia, PA 19104
Phone Number: 215-898-0487
Email: rradhak@seas.upenn.edu


Papers:
Iterative Loop Structure Prediction Using Flexible and Fixed Stem Geometries
Ashwin Subramani, Princeton University; Christodoulos A. Floudas, Princeton University
Non-Aqueous Environment Disrupts the Allosteric Network in Subtilisin
Jordi S. Ryan, University of California, Berkeley; Jhih-Wei Chu, University of California, Berkeley
Multiscale Simulation of Ion Channel Gating
Fangqiang Zhu, National Institutes of Health; Gerhard Hummer, National Institutes of Health
Effect of Co-Solutes On the Thermodynamics of the Aggregation of Peptides
Diwakar Shukla, Massachusetts Institute of Technology; Bernhardt L. Trout, Massachusetts Institute of Technology
HIV-1 gp120 : Atomic Insight Into a Layered Topology and Plasticity of the Inner Domain
Ali Emileh, Drexel University; Cameron F. Abrams, Drexel University
Using Hybrid Quantum Mechanics and Force-Field Methods for Improving Enzymatic Activity
George Khoury, Pennsylvania State University-University Park; Ping Lin, Pennsylvania State University-University Park; Michael Janik, Pennsylvania State University-University Park; Patrick Cirino, Pennsylvania State University-University Park; Costas D. Maranas, Pennsylvania State University-University Park
See more of this Group/Topical: Food, Pharmaceutical & Bioengineering Division