A Computational Investigation of the Solubility and Hydrophobic Collapse of Heavy N-Alkanes In Water
Andrew L. Ferguson, Athanassios Z. Panagiotopoulos and Pablo G. Debenedetti, Chemical Engineering, Princeton University, Princeton, NJ 08544 |
Alcohol Effects on Trans-Nuclear Membrane Transport
Ashish V. Sangwai, Luigi P. Verdoni and Hank Ashbaugh, Chemical and Biomolecular Engineering, Tulane University, 300 Lindy Boggs Building Tulane University, New Orleans, LA 70118 |
Ca2+-Dimethylphosphate Complex Formation: Providing Insight into Ca2+ Mediated Local Dehydration and Membrane Fusion In Cells
Zeena K. Issa, Charles W. Manke, Bhanu P. Jena and Jeffrey J. Potoff, Chemical Engineering, Wayne State University, 5050 Anthony-Wayne Dr., Detroit, MI 48202 |
Design of Polymer-Grafted Particles for Biocompatability
David M. Trombly and Venkat Ganesan, Chemical Engineering, University of Texas at Austin, 1 University Station C0400, Rm 3.402, Austin, TX 78712-0231 |
Development of An Intermediate-Resolution Model for DNA
Johnny R. Maury-Evertsz and Carol K. Hall, Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27606 |
Efficiency of Replica Exchange Simulations In Determining Thermodynamic Properties of Biological Systems
Terry J. Schmitt and Thomas A. Knotts IV, Department of Chemical Engineering, Brigham Young University, 350 CB, Provo, UT 84602 |
Flexibility and Rigidity of Protein Conformation Under High Pressure and Non-Aqueous Environments
Jhih-Wei Chu, Chemical Engineering, University of California, Berkeley, 101A Gilman, UC Berkeley, Berkeley, CA 94720 and Hyung Min Cho, Chemical Engineering, UC Berkeley, 6 Gilman, UC Berkeley, Berkeley, CA 94720 |
Influence of Cosolvents In Protein-Protein Interactions
Hamsa Priya Mohana Sundaram, Chemical and Biomolecular Engineering, The Ohio State University, 125 Koffolt Lab, 140 West 19th Avenue, Columbus, OH 43210, Hank Ashbaugh, Chemical and Biomolecular Engineering, Tulane University, 327 Lindy Boggs Building Tulane University, New Orleans, LA 70118 and Michael E. Paulaitis, Chemical and Biomolecular Engineering, The Ohio State University, 125 Koffolt Labs, 140, West 19th Ave, Columbus, OH 43210 |
Molecular Determinants of K+ Ion Selectivity In the Kcsa Potassium Channel
Purushottam D. Dixit, Safir Merchant and Dilip Asthagiri, Chemical and Biomolecular Engineering, Johns Hopkins University, 322 Maryland Hall., 3400 N Charles Street. Johns Hopkins University, Baltimore, MD 21218 |
Pairwise Additive Hydrophobic Effect for Alkanes In Water
Jianzhong Wu, Chemical and Environmental Engineering, University of California, Riverside, Bourns Hall A242, 900 University Avenue, Riverside, CA 92521 and John M. Prausnitz, Department of Chemical Engineering, University of California, Berkeley, CA 94720-1462 |
Phase Behavior of a Two-Dimensional Chiral Lattice Model
Thomas G. Lombardo1, Frank H. Stillinger2 and Pablo G. Debenedetti1, (1)Chemical Engineering, Princeton University, Princeton, NJ 08544, (2)Chemistry, Princeton University, Princeton, NJ 08544 |
Theoretical and Experimental Investigation of the Impact of Surfaces on Oligonucleotide Melting Temperature
Ayse Bilge Ozel and Erdogan Gulari, Department of Chemical Engineering, University of Michigan- Ann Arbor, 2300 Hayward St 3074 H H Dow Building, Ann Arbor, MI 48109 |
Thermodynamic Study of the Structural Stability of Polyglutamine as a Function of Temperature and Chain Length
Vanessa Ortiz1, Manan Chopra1, George N. Phillips2 and Juan J. de Pablo1, (1)Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI 53705, (2)Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53705 |
Thermodynamics of Multiple Phenol Dissociation Pathways In the R6
Insulin Hexamer
Harish Vashisth, Chemical Engineering, Drexel University, 3141 Chestnut St, Department of Chemical Engineering, Philadelphia, PA 19104 and Cameron F. Abrams, Drexel University, Department of Chemical Engineering, Philadelphia, PA 19104 |
Universal Features of Protein Folding Thermodynamics and Kinetics Under Confinement
Jeetain Mittal, Laboratory of Chemical Physics, National Institutes of Health, 5 Memorial dr, Room 114, Bethesda, MD 20892 and Robert B. Best, Department of Chemistry, Cambridge University, Lensfield Road, Cambridge, United Kingdom |
Using Extended Ensemble Methods to Calculate Ligand Binding Affinities
Michael R. Shirts, Chemical Engineering, University of Virginia, 102 Engineers Way, P.O. Box 400741, Charlottesville, VA 22904-4741 |
Structure and the Free Energy of Protein Clusters Using a Generalized Quasi-Chemical Theory and Anisotropic Colloidal-Scale Interactions
Teresa M. Young, Department of Chemical Engineering, University of Delaware, 150 Academy St., Newark, DE 19716 and Christopher J. Roberts, Department of Chemical Engineering, University of Delaware, 150 Academy Street, Newark, DE 19716 |
Binding and Release of Cholesterol In the Osh4 Protein of Yeast
Rishi P. Singh1, Bernard R. Brooks1 and Jeffery Klauda2, (1)Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, 50 South Dr., Bethesda, MD 20892, (2)Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, MD 20742-2111 |
Preferential Interaction Parameters of Proteins In Mixed Solvents
Diwakar Shukla, Chemical Engineering, Massachusetts Institute of Technology, E19-528, 77 Massachusetts Avenue, Cambridge, MA 02139 and Bernhardt L. Trout, Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, E19-528, Cambridge, MA 02139 |
Protein-Protein and Protein-Salt Interactions: A Study of Specific ION Effects on Homopolypeptides
Suwimol Wongsakulphasatch and Robin Curtis, University of Manchester, PO Box 88, Sackville Street, Manchester, M 60 1QD, United Kingdom |
Polymorphic Protein Crystal Growth: The Role of Hydration In Glucose Isomerase Crystal Stability
Christopher M. Gillespie, Department of Chemical Engineering, University of Delaware, 150 Academy Street, Newark, DE 21754, Dilip Asthagiri, Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218, Eric W. Kaler, Department of Chemical Engineering, University of Delaware, 102 P.S. DuPont Hall, Newark, DE 19716 and Abraham M. Lenhoff, Department of Chemical Engineering, University of Delaware, 226 Colburn Lab, Newark, DE 19716-3110 |
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