Molecular design of stapled pentapeptides as building blocks of self-assembled coiled coil–like fibers

Unusual Two‐Step Assembly of a Minimalistic Dipeptide‐Based Functional Hypergelator

(2020) Priyadarshi Chakraborty et al.   ADVANCED MATERIALS

Packing of apolar side chains enables accurate design of highly stable membrane proteins

(2019) Marco Mravic et al.   SCIENCE

Conformation Dependence of Diphenylalanine Self-Assembly Structures and Dynamics: Insights from Hybrid-Resolution Simulations

(2019) Qinsi Xiong et al.   ACS Nano

Expanding the Functional Scope of the Fmoc‐Diphenylalanine Hydrogelator by Introducing a Rigidifying and Chemically Active Urea Backbone Modification

(2019) Vasantha Basavalingappa et al.   Advanced Science

Functional Coiled-Coil-like Assembly by Knob-into-Hole Packing of Single Heptad Repeat

(2019) Sudipta Mondal et al.   ACS Nano

Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

(2018) Pim W. J. M. Frederix et al.   CHEMICAL SOCIETY REVIEWS

Tuning peptide self-assembly by an in-tether chiral center

(2018) Kuan Hu et al.   Science Advances

Self-assembly of functional nanostructures by short helical peptide building blocks.

(2018) Santu Bera et al.   PROTEIN AND PEPTIDE LETTERS

Maintaining and breaking symmetry in homomeric coiled-coil assemblies

(2018) Guto G. Rhys et al.   Nature Communications

Analyzing and Driving Cluster Formation in Atomistic Simulations

(2017) Gareth A. Tribello et al.   Journal of Chemical Theory and Computation

All-Atom Molecular Dynamics Simulations of Peptide Amphiphile Assemblies That Spontaneously Form Twisted and Helical Ribbon Structures

(2017) Cheng-Tsung Lai et al.   Journal of Physical Chemistry Letters

A minimal length rigid helical peptide motif allows rational design of modular surfactants

(2017) Sudipta Mondal et al.   Nature Communications

Water-Floating Giant Nanosheets from Helical Peptide Pentamers

(2016) Jaehun Lee et al.   ACS Nano

An In-tether Chiral Center Modulates the Helicity, Cell Permeability, and Target Binding Affinity of a Peptide

(2016) Kuan Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Modular Design of Self-Assembling Peptide-Based Nanotubes

(2015) Natasha C. Burgess et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Magnetotactic molecular architectures from self-assembly of β-peptide foldamers

(2015) Sunbum Kwon et al.   Nature Communications

Formation of functional super-helical assemblies by constrained single heptad repeat

(2015) Sudipta Mondal et al.   Nature Communications

Peptide Nanotubes

(2014) Ian W. Hamley   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Exploiting Aromatic Interactions for β-Peptide Foldamer Helix Stabilization: A Significant Design Element

(2014) István M. Mándity et al.   CHEMISTRY-A EUROPEAN JOURNAL

Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels

(2014) Pim W. J. M. Frederix et al.   Nature Chemistry

De novo design of a transmembrane Zn2+-transporting four-helix bundle

(2014) Nathan H. Joh et al.   SCIENCE

Further Optimization of a Hybrid United-Atom and Coarse-Grained Force Field for Folding Simulations: Improved Backbone Hydration and Interactions between Charged Side Chains

(2012) Wei Han et al.   Journal of Chemical Theory and Computation

Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design

(2012) T. H. Sharp et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational design of a protein crystal

(2012) C. J. Lanci et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mesoporous vesicles from supramolecular helical peptide as drug carrier

(2011) Sibaprasad Maity et al.   Soft Matter

Coiled coils: attractive protein folding motifs for the fabrication of self-assembled, responsive and bioactive materials

(2010) Bojana Apostolovic et al.   CHEMICAL SOCIETY REVIEWS

Helix propensities of the amino acids measured in alanine-based peptides without helix-stabilizing side-chain interactions

(2010) Avijit Chakrabartty et al.   PROTEIN SCIENCE

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

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

Self-Assembly of α-Helical Coiled Coil Nanofibers

(2008) He Dong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY