Guiding principles for peptide nanotechnology through directed discovery

Atomic structures of low-complexity protein segments reveal kinked β sheets that assemble networks

(2018) Michael P. Hughes et al.   SCIENCE

Using Evolutionary Algorithms and Machine Learning to Explore Sequence Space for the Discovery of Antimicrobial Peptides

(2018) Mari Yoshida et al.   Chem

Coarse-Grained Molecular Simulation of the Hierarchical Self-Assembly of π-Conjugated Optoelectronic Peptides

(2017) Rachael A. Mansbach et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Formation of Annular Protofibrillar Assembly by Cysteine Tripeptide: Unraveling the Interactions with NMR, FTIR, and Molecular Dynamics

(2017) Biswadip Banerji et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Emergence of a New Self-Replicator from a Dynamic Combinatorial Library Requires a Specific Pre-Existing Replicator

(2017) Yigit Altay et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic diversity in self-propagating peptide assemblies

(2017) Tolulope O. Omosun et al.   Nature Chemistry

Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries

(2017) I. R. Sasselli et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Polymeric peptide pigments with sequence-encoded properties

(2017) Ayala Lampel et al.   SCIENCE

Low-Molecular-Weight Gels: The State of the Art

(2017) Emily R. Draper et al.   Chem

Systematic Moiety Variations of Ultrashort Peptides Produce Profound Effects on Self-Assembly, Nanostructure Formation, Hydrogelation, and Phase Transition

(2017) Kiat Hwa Chan et al.   Scientific Reports

Supramolecular Fibers in Gels Can Be at Thermodynamic Equilibrium: A Simple Packing Model Reveals Preferential Fibril Formation versus Crystallization

(2016) Ivan Ramos Sasselli et al.   ACS Nano

Fmoc-modified amino acids and short peptides: simple bio-inspired building blocks for the fabrication of functional materials

(2016) Kai Tao et al.   CHEMICAL SOCIETY REVIEWS

Effect of Peptide Sequences on Supramolecular Interactions of Naphthaleneimide/Tripeptide Conjugates

(2016) Mei-Yu Yeh et al.   LANGMUIR

Self-assembled peptide nanostructures for functional materials

(2016) Melis Sardan Ekiz et al.   NANOTECHNOLOGY

Supramolecular biomaterials

(2016) Matthew J. Webber et al.   NATURE MATERIALS

Bioinspired fluorescent dipeptide nanoparticles for targeted cancer cell imaging and real-time monitoring of drug release

(2016) Zhen Fan et al.   Nature Nanotechnology

Dynamic peptide libraries for the discovery of supramolecular nanomaterials

(2016) Charalampos G. Pappas et al.   Nature Nanotechnology

CHARMM force field parameterization protocol for self-assembling peptide amphiphiles: the Fmoc moiety

(2016) I. Ramos Sasselli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enzymatically activated emulsions stabilised by interfacial nanofibre networks

(2016) Inês P. Moreira et al.   Soft Matter

Using experimental and computational energy equilibration to understand hierarchical self-assembly of Fmoc-dipeptide amphiphiles

(2016) I. R. Sasselli et al.   Soft Matter

The self-assembly mechanism of tetra-peptides from the motif of β-amyloid peptides: a combined coarse-grained and all-atom molecular dynamics simulation

(2016) Lijun Liang et al.   RSC Advances

Osteogenic differentiation of human mesenchymal stem cells promotes mineralization within a biodegradable peptide hydrogel

(2016) Luis A Castillo Diaz et al.   Journal of Tissue Engineering

Dynamic Peptide Library for the Discovery of Charge Transfer Hydrogels

(2015) Cristina Berdugo et al.   ACS Applied Materials & Interfaces

Tripeptide Emulsifiers

(2015) Gary G. Scott et al.   ADVANCED MATERIALS

Biocatalytic Pathway Selection in Transient Tripeptide Nanostructures

(2015) Charalampos G. Pappas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Sequence Adaptive Peptide–Polysaccharide Nanostructures by Biocatalytic Self-Assembly

(2015) Yousef M. Abul-Haija et al.   BIOMACROMOLECULES

Correction: Stacking interactions by two Phe side chains stabilize and orient assemblies of even the minimal amphiphilic β-sheet motif

(2015) Shlomo Zarzhitsky et al.   CHEMICAL COMMUNICATIONS

Supramolecular Hydrogelators and Hydrogels: From Soft Matter to Molecular Biomaterials

(2015) Xuewen Du et al.   CHEMICAL REVIEWS

Self-Assembly of Tyrosine into Controlled Supramolecular Nanostructures

(2015) Cécilia Ménard-Moyon  et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Molecular Dynamics Study on Controlling the Self-Assembly of β-Sheet Peptides with Designer Nanorings

(2015) SeongByeong Park et al.   Chemistry-An Asian Journal

Chemical Reactions Directed Peptide Self-Assembly

(2015) Dnyaneshwar Rasale et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computational Approaches to Understanding the Self-assembly of Peptide-based Nanostructures

(2015) Tell Tuttle   ISRAEL JOURNAL OF CHEMISTRY

Morphological Versatility in the Self-Assembly of Val-Ala and Ala-Val Dipeptides

(2015) Hakan Erdogan et al.   LANGMUIR

Exponential self-replication enabled through a fibre elongation/breakage mechanism

(2015) Mathieu Colomb-Delsuc et al.   Nature Communications

Complementary Co-assembling Peptides: From In Silico Studies to In Vivo Application

(2014) Andrea Raspa et al.   ADVANCED FUNCTIONAL MATERIALS

The physical properties of supramolecular peptide assemblies: from building block association to technological applications

(2014) Lihi Adler-Abramovich et al.   CHEMICAL SOCIETY REVIEWS

Design of nanostructures based on aromatic peptide amphiphiles

(2014) Scott Fleming et al.   CHEMICAL SOCIETY REVIEWS

Self-Assembly of an Aspartate-Rich Sequence from the Adenovirus Fiber Shaft: Insights from Molecular Dynamics Simulations and Experiments

(2014) Phanourios Tamamis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Assembly of Cyclo-diphenylalanine Peptides in Vacuum

(2014) Joohyun Jeon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Amino Acid Sequence in Constitutionally Isomeric Tetrapeptide Amphiphiles Dictates Architecture of One-Dimensional Nanostructures

(2014) Honggang Cui et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solvent Effects on Kinetic Mechanisms of Self-Assembly by Peptide Amphiphiles via Molecular Dynamics Simulations

(2014) Iris W. Fu et al.   LANGMUIR

Role of Hydrophobicity on Self-Assembly by Peptide Amphiphiles via Molecular Dynamics Simulations

(2014) Iris W. Fu et al.   LANGMUIR

Replica-exchange molecular dynamics simulation for understanding the initial process of amyloid peptide aggregation

(2014) Naohiro Nishikawa et al.   MOLECULAR SIMULATION

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

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

Self-assembly of short peptides to form hydrogels: Design of building blocks, physical properties and technological applications

(2013) Galit Fichman et al.   Acta Biomaterialia

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

Aromatic peptide amphiphiles: significance of the Fmoc moiety

(2013) Scott Fleming et al.   CHEMICAL COMMUNICATIONS

The importance of the self-assembly process to control mechanical properties of low molecular weight hydrogels

(2013) Jaclyn Raeburn et al.   CHEMICAL SOCIETY REVIEWS

Dynamic combinatorial/covalent chemistry: a tool to read, generate and modulate the bioactivity of compounds and compound mixtures

(2013) Andreas Herrmann   CHEMICAL SOCIETY REVIEWS

Tetrapeptidic Molecular Hydrogels: Self-assembly and Co-aggregation with Amyloid Fragment Aβ1-40

(2013) Marta Tena-Solsona et al.   CHEMISTRY-A EUROPEAN JOURNAL

Steered Molecular Dynamics Studies of the Potential of Mean Force for Peptide Amphiphile Self-Assembly into Cylindrical Nanofibers

(2013) Tao Yu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Free-Energy Landscape for Peptide Amphiphile Self-Assembly: Stepwise versus Continuous Assembly Mechanisms

(2013) Tao Yu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Insights into Diphenylalanine Nanotube Assembly: All-Atom Simulations of Oligomerization

(2013) Joohyun Jeon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Assembly of Cysteine Dimers at the Gold Surface: A Computational Study of Competing Interactions

(2013) Chris R. L. Chapman et al.   Journal of Physical Chemistry C

Peptide Nanofibers with Dynamic Instability through Nonequilibrium Biocatalytic Assembly

(2013) Sisir Debnath et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why Are Diphenylalanine-Based Peptide Nanostructures so Rigid? Insights from First Principles Calculations

(2013) Ido Azuri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Hierarchical Coarse-Grained (All-Atom-to-All-Residue) Computer Simulation Approach: Self-Assembly of Peptides

(2013) Ras B. Pandey et al.   PLoS One

Self-Assembling Cages from Coiled-Coil Peptide Modules

(2013) J. M. Fletcher et al.   SCIENCE

Directing the self-assembly of supra-biomolecular nanotubes using entropic forces

(2013) Luis Ruiz et al.   Soft Matter

Discovery of energy transfer nanostructures using gelation-driven dynamic combinatorial libraries

(2013) Siva Krishna Mohan Nalluri et al.   Chemical Science

The Role of Electrostatics and Temperature on Morphological Transitions of Hydrogel Nanostructures Self-Assembled by Peptide Amphiphiles Via Molecular Dynamics Simulations

(2013) Iris W. Fu et al.   Advanced Healthcare Materials

Antimicrobial properties of enzymatically triggered self-assembling aromatic peptide amphiphiles

(2013) Meghan Hughes et al.   Biomaterials Science

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

(2012) Cong Guo et al.   ACS Nano

Synthetic peptide arrays for investigating protein interaction domains

(2012) Rudolf Volkmer et al.   FEBS LETTERS

Molecular dynamics simulations and density functional theory studies of NALMA and NAGMA dipeptides

(2012) Subramaniam Boopathi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

Improved Parameters for the Martini Coarse-Grained Protein Force Field

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

A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly

(2012) Scott P. Carmichael et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Differential supramolecular organisation of Fmoc-dipeptides with hydrophilic terminal amino acid residues by biocatalytic self-assembly

(2012) Meghan Hughes et al.   Soft Matter

Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly

(2012) Meghan Hughes et al.   Soft Matter

The in vivo performance of an enzyme-assisted self-assembled peptide/protein hydrogel

(2011) Richard J. Williams et al.   BIOMATERIALS

Tripeptide self-assembled hydrogels: unexpected twists of chirality

(2011) Silvia Marchesan et al.   CHEMICAL COMMUNICATIONS

Dynamic combinatorial chemistry as a tool for the design of functional materials and devices

(2011) Emilie Moulin et al.   CHEMICAL SOCIETY REVIEWS

Self-Assembly of Short Peptide Amphiphiles: The Cooperative Effect of Hydrophobic Interaction and Hydrogen Bonding

(2011) Shuyi Han et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Tripeptide Motifs in Biology: Targets for Peptidomimetic Design

(2011) Phuc Ung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dynamic Combinatorial Donor−Acceptor Catenanes in Water: Access to Unconventional and Unexpected Structures

(2011) Ho Yu Au-Yeung et al.   JOURNAL OF ORGANIC CHEMISTRY

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

Atomistic Molecular Dynamics Simulations of Peptide Amphiphile Self-Assembly into Cylindrical Nanofibers

(2011) One-Sun Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Glycine Substitution on Fmoc–Diphenylalanine Self-Assembly and Gelation Properties

(2011) Claire Tang et al.   LANGMUIR

Multi-hierarchical self-assembly of a collagen mimetic peptide from triple helix to nanofibre and hydrogel

(2011) Lesley E. R. O'Leary et al.   Nature Chemistry

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

Biocatalytic self-assembly of 2D peptide-based nanostructures

(2011) Meghan Hughes et al.   Soft Matter

Self-assembly of peptide amphiphiles: From molecules to nanostructures to biomaterials

(2010) Honggang Cui et al.   BIOPOLYMERS

Peptide and protein based materials in 2010: from design and structure to function and application

(2010) Rein V. Ulijn et al.   CHEMICAL SOCIETY REVIEWS

Twisted Nanotubes Formed from Ultrashort Amphiphilic Peptide I3K and Their Templating for the Fabrication of Silica Nanotubes

(2010) Hai Xu et al.   CHEMISTRY OF MATERIALS

Dynamic covalent chemistry in aid of peptide self-assembly

(2010) Jan W Sadownik et al.   CURRENT OPINION IN BIOTECHNOLOGY

Conformation and Intermolecular Interactions of SA2 Peptides Self-Assembled into Vesicles

(2010) Albert J. van Hell et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Tuning Supramolecular Rigidity of Peptide Fibers through Molecular Structure

(2010) E. Thomas Pashuck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogelation and Self-Assembly of Fmoc-Tripeptides: Unexpected Influence of Sequence on Self-Assembled Fibril Structure, and Hydrogel Modulus and Anisotropy

(2010) G. Cheng et al.   LANGMUIR

Enzymatic Catalyzed Synthesis and Triggered Gelation of Ionic Peptides

(2010) Jean-Baptiste Guilbaud et al.   LANGMUIR

Biocatalytic induction of supramolecular order

(2010) Andrew R. Hirst et al.   Nature Chemistry

Mechanosensitive Self-Replication Driven by Self-Organization

(2010) J. M. A. Carnall et al.   SCIENCE

Relationship between molecular structure, gelation behaviour and gel properties of Fmoc-dipeptides

(2010) Dave J. Adams et al.   Soft Matter

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

(2009) Phanourios Tamamis et al.   BIOPHYSICAL JOURNAL

Evolving nanomaterials using enzyme-driven dynamic peptide libraries (eDPL)

(2009) Apurba K. Das et al.   FARADAY DISCUSSIONS

Structure and sequence determinants of aggregation investigated with molecular dynamics

(2009) Elisabetta Moroni   Frontiers in Bioscience-Landmark

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model

(2009) Alessandra Villa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation

(2009) Alessandra Villa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new method for maintaining homogeneity during liquid–hydrogel transitions using low molecular weight hydrogelators

(2009) Dave J. Adams et al.   Soft Matter

Enzymatic Hydrogelation of Small Molecules

(2008) Zhimou Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Designed α-Helical Tectons for Constructing Multicomponent Synthetic Biological Systems

(2008) Elizabeth H. C. Bromley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing Peptide Nanotube Self-Assembly at a Liquid−Liquid Interface with Coarse-Grained Molecular Dynamics

(2008) Ekta Khurana et al.   NANO LETTERS

Enzyme-assisted self-assembly under thermodynamic control

(2008) Richard J. Williams et al.   Nature Nanotechnology

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems

(2008) M. L. Klein et al.   SCIENCE

Self-assembly and gelation properties of α-helix versus β-sheet forming peptides

(2008) A. Saiani et al.   Soft Matter