261 Model Development for Biomolecular Systems

Description:
Papers on the development of atomistic and coarse-grained models for the study of biological systems.

Sponsor:
Thermodynamics and Transport Properties

Chair:
Jeffery Klauda
Email: jbklauda@umd.edu

Co-Chair:
Mark J. Uline
Email: uline@mailbox.sc.edu


Papers:

8:30 AM
(261a) Molecular Understanding of the Hydration of Zwitterionic Moieties: Effect of Charged Groups
Qing Shao and Shaoyi Jiang

8:44 AM
(261b) Biomolecular Simulations With the Transferable Potentials for Phase Equilibria: Extension to Phosphlipids
Navendu Bhatnagar, Ganesh Kamath and Jeffrey J. Potoff

8:58 AM
(261c) Simulation Studies On Organelle-Specific Yeast Membrane Models and Amphipathic Lipid Packing Sensor (ALPS) Motif Binding Mechanism
Viviana Monje-Galvan and Jeffery Klauda

9:12 AM
(261d) Curvature and Tension Effects On the Sorting of Proteins in Phase-Separated Model Lipid Bilayers
Mark J. Uline

9:26 AM
(261e) Mechanism of a Hotdog-Fold Acyl-CoA Thioesterase By QM/MM Metadynamics Simulation
David C. Cantu, Albert Ardevol, Carme Rovira and Peter J. Reilly

9:40 AM
(261f) DPD Simulation of Protein Conformations: From Alpha-Helices to Beta-Structures
Aleksey Vishnyakov, David S. Talaga and Alexander V. Neimark

9:54 AM
(261g) Theoretical Model for HP1-Induced Heterochromatin Formation
Peter J. Mulligan, Elena F. Koslover and Andrew J. Spakowitz

10:08 AM
(261h) A Predictive Model to the Drug Solubility in Supercritical Carbon Dioxide
Li-Hsin Wang and Shiang-Tai Lin

10:22 AM
(261i) A Computational Investigation Of Attrition-Enhanced Chiral Symmetry Breaking In Conglomerate Crystals
Francesco Ricci, Frank H. Stillinger and Pablo G. Debenedetti
See more of this Group/Topical: Engineering Sciences and Fundamentals
<< Previous Session | Next Session >>