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

Design of nanostructures based on aromatic peptide amphiphiles

(2014) Scott Fleming et al.   CHEMICAL SOCIETY REVIEWS

Chirality effects at each amino acid position on tripeptide self-assembly into hydrogel biomaterials

(2014) S. Marchesan et al.   Nanoscale

Triphenylalanine peptides self-assemble into nanospheres and nanorods that are different from the nanovesicles and nanotubes formed by diphenylalanine peptides

(2014) Cong Guo et al.   Nanoscale

De Novo Design and Experimental Characterization of Ultrashort Self-Associating Peptides

(2014) James Smadbeck et al.   PLoS Computational Biology

Efficacious Anticancer Drug Delivery Mediated by a pH-Sensitive Self-Assembly of a Conserved Tripeptide Derived from Tyrosine Kinase NGF Receptor

(2013) Parikshit Moitra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tuning of peptide assembly through force balance adjustment

(2013) Meiwen Cao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

On the Foldability of Tryptophan-Containing Tetra- and Pentapeptides: An Exhaustive Molecular Dynamics Study

(2013) Panagiota S. Georgoulia et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Assessing the Utility of Infrared Spectroscopy as a Structural Diagnostic Tool for β-Sheets in Self-Assembling Aromatic Peptide Amphiphiles

(2013) Scott Fleming et al.   LANGMUIR

Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and Nanotubes

(2012) Cong Guo et al.   ACS Nano

Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides

(2012) Mikyung Seo et al.   Journal of Chemical Theory and Computation

Dimerization of Amino Acid Side Chains: Lessons from the Comparison of Different Force Fields

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Self-assembly of short peptides composed of only aliphatic amino acids and a combination of aromatic and aliphatic amino acids

(2012) Chilukuri Subbalakshmi et al.   JOURNAL OF PEPTIDE SCIENCE

Modeling the Self-Assembly of Peptide Amphiphiles into Fibers Using Coarse-Grained Molecular Dynamics

(2012) One-Sun Lee et al.   NANO LETTERS

Unzipping the role of chirality in nanoscale self-assembly of tripeptide hydrogels

(2012) Silvia Marchesan et al.   Nanoscale

Aliphatic peptides show similar self-assembly to amyloid core sequences, challenging the importance of aromatic interactions in amyloidosis

(2012) A. Lakshmanan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Tripeptide self-assembled hydrogels: unexpected twists of chirality

(2011) Silvia Marchesan et al.   CHEMICAL COMMUNICATIONS

Ultrasmall Peptides Self-Assemble into Diverse Nanostructures: Morphological Evaluation and Potential Implications

(2011) Anupama Lakshmanan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Using the Wimley–White Hydrophobicity Scale as a Direct Quantitative Test of Force Fields: The MARTINI Coarse-Grained Model

(2011) Gurpreet Singh et al.   Journal of Chemical Theory and Computation

The aggregation of Tyr-Phe dipeptide and Val-Tyr-Val tripeptide in aqueous solution and in the presence of SDS and PEO–PPO–PEO triblock copolymer: Fluorescence spectroscopic studies

(2011) Jilly James et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Virtual Screening for Dipeptide Aggregation: Toward Predictive Tools for Peptide Self-Assembly

(2011) Pim W. J. M. Frederix et al.   Journal of Physical Chemistry Letters

A de novo peptide hexamer with a mutable channel

(2011) Nathan R Zaccai et al.   Nature Chemical Biology

Natural tri- to hexapeptides self-assemble in water to amyloid  -type fiber aggregates by unexpected  -helical intermediate structures

(2011) C. A. E. Hauser et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Next-generation peptide nanomaterials: molecular networks, interfaces and supramolecular functionality

(2010) Mischa Zelzer et al.   CHEMICAL SOCIETY REVIEWS

Molecular self-assembly and applications of designer peptide amphiphiles

(2010) Xiubo Zhao et al.   CHEMICAL SOCIETY REVIEWS

A tool for the morphological analysis of mixtures of lipids and water in computer simulations

(2010) Marc Fuhrmans et al.   JOURNAL OF MOLECULAR MODELING

Elucidation of the Self-Assembly Pathway of Lanreotide Octapeptide into β-Sheet Nanotubes: Role of Two Stable Intermediates

(2010) Emilie Pouget et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Molecular Structure on the Properties of Naphthalene−Dipeptide Hydrogelators

(2010) Lin Chen et al.   LANGMUIR

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

(2010) Semen O. Yesylevskyy et al.   PLoS Computational Biology

Self-Assembly of Phenylalanine Oligopeptides: Insights from Experiments and Simulations

(2009) Phanourios Tamamis et al.   BIOPHYSICAL JOURNAL

The MARTINI Coarse-Grained Force Field: Extension to Proteins

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

Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials†

(2008) Martin McCullagh et al.   JOURNAL OF PHYSICAL CHEMISTRY B