Effect of secondary structure on the self-assembly of amphiphilic molecules: A multiscale simulation study

Driving Force for the Association of Amphiphilic Molecules

(2011) Jagannath Mondal et al.   Journal of Physical Chemistry Letters

Establishing effective simulation protocols for β- and α/β-peptides. III. Molecular mechanical model for acyclic β-amino acids

(2010) Xiao Zhu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions

(2010) Zhe Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Path-Dependent Morphology and Relaxation Kinetics of Highly Amphiphilic Diblock Copolymer Micelles in Ionic Liquids

(2010) Luciana Meli et al.   MACROMOLECULES

Structure of cationic surfactant micelles from molecular simulations of self-assembly

(2009) Miguel Jorge   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Foldamers with Heterogeneous Backbones

(2008) W. Seth Horne et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nanofibers and Lyotropic Liquid Crystals from a Class of Self-Assembling β-Peptides

(2008) William C. Pomerantz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue

(2008) Xiao Zhu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulation of Self-Assembly ofn-Decyltrimethylammonium Bromide Micelles

(2008) Miguel Jorge   LANGMUIR