Advancing Rational Control of Peptide–Surface Complexes

Molecular-Level Insights into Biologically Driven Graphite Exfoliation for the Generation of Graphene in Aqueous Media

(2020) Atul D. Parab et al.   Journal of Physical Chemistry C

Energy Landscape Mapping and Replica Exchange Molecular Dynamics of an Adsorbed Peptide

(2020) James A. Ross-Naylor et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quantitative design rules for protein-resistant surface coatings using machine learning

(2019) Tu C. Le et al.   Scientific Reports

Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces

(2019) Coco M. Mao et al.   LANGMUIR

A Primer on Visualizations for Comparing Populations, Including the Issue of Overlapping Confidence Intervals

(2018) Tommy Wright et al.   AMERICAN STATISTICIAN

Anticooperative Nearest-Neighbor Interactions between Residues in Unfolded Peptides and Proteins

(2018) Reinhard Schweitzer-Stenner et al.   BIOPHYSICAL JOURNAL

Quantitatively Identifying the Roles of Interfacial Water and Solid Surface in Governing Peptide Adsorption

(2018) Zhijun Xu et al.   LANGMUIR

Impact of Surface Interactions on Protein Conformation

(2018) David Faulón Marruecos et al.   CURRENT OPINION IN COLLOID & INTERFACE SCIENCE

Graphene based biosensors—Accelerating medical diagnostics to new-dimensions

(2017) Neha Chauhan et al.   JOURNAL OF MATERIALS RESEARCH

Determinants of Alanine Dipeptide Conformational Equilibria on Graphene and Hydroxylated Derivatives

(2017) Horacio Poblete et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nature-Inspired Construction of Two-Dimensionally Self-Assembled Peptide on Pristine Graphene

(2017) Young Hyun No et al.   Journal of Physical Chemistry Letters

Molecular Interactions between Graphene and Biological Molecules

(2017) Xingquan Zou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Peptide interfaces with graphene: an emerging intersection of analytical chemistry, theory, and materials

(2016) Shane R. Russell et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

When biomolecules meet graphene: from molecular level interactions to material design and applications

(2016) Dapeng Li et al.   Nanoscale

Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correction

(2016) Preeti Singla et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bioelectronic interfaces by spontaneously organized peptides on 2D atomic single layer materials

(2016) Yuhei Hayamizu et al.   Scientific Reports

Entropic (de)stabilization of surface-bound peptides conjugated with polymers

(2015) Scott P. Carmichael et al.   JOURNAL OF CHEMICAL PHYSICS

Computation of the binding free energy of peptides to graphene in explicit water

(2015) Corrinne M. Welch et al.   JOURNAL OF CHEMICAL PHYSICS

Engineered 2D nanomaterials–protein interfaces for efficient sensors

(2015) Kiran Kumar Tadi et al.   JOURNAL OF MATERIALS RESEARCH

To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces?

(2015) Gül H. Zerze et al.   LANGMUIR

Role of Arginine in Mediating Protein–Carbon Nanotube Interactions

(2015) Eugene Wu et al.   LANGMUIR

An Ultrasensitive, Selective, Multiplexed Superbioelectronic Nose That Mimics the Human Sense of Smell

(2015) Oh Seok Kwon et al.   NANO LETTERS

Computational chemistry for graphene-based energy applications: progress and challenges

(2015) Zak E. Hughes et al.   Nanoscale

Molecular-level understanding of the adsorption mechanism of a graphite-binding peptide at the water/graphite interface

(2015) M. J. Penna et al.   Soft Matter

Hierarchical Density Estimates for Data Clustering, Visualization, and Outlier Detection

(2015) Ricardo J. G. B. Campello et al.   ACM Transactions on Knowledge Discovery from Data

Influence of carbon nanomaterial defects on the formation of protein corona

(2015) Bishwambhar Sengupta et al.   RSC Advances

The role of basic residues in the adsorption of blood proteins onto the graphene surface

(2015) Zonglin Gu et al.   Scientific Reports

What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces

(2015) Zak E. Hughes et al.   Journal of Materials Chemistry B

Potential Toxicity of Graphene to Cell Functions via Disrupting Protein–Protein Interactions

(2014) Binquan Luan et al.   ACS Nano

Selective Detection of Target Proteins by Peptide-Enabled Graphene Biosensor

(2014) Dmitriy Khatayevich et al.   Small

Application of graphene for the analysis of pharmaceuticals and personal care products in wastewater

(2013) Yong Yu et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Control of the Graphene–Protein Interface Is Required To Preserve Adsorbed Protein Function

(2013) Thomas Alava et al.   ANALYTICAL CHEMISTRY

Graphene: Safe or Toxic? The Two Faces of the Medal

(2013) Alberto Bianco   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A flexible algorithm for calculating pair interactions on SIMD architectures

(2013) Szilárd Páll et al.   COMPUTER PHYSICS COMMUNICATIONS

Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect

(2013) N. Dragneva et al.   JOURNAL OF CHEMICAL PHYSICS

Simulations of Peptide-Graphene Interactions in Explicit Water

(2013) Aerial N. Camden et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Sequence Effects on Peptide Assembly Characteristics Observed by Using Scanning Tunneling Microscopy

(2013) Xiaobo Mao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biomineralization as an Inspiration for Materials Chemistry

(2012) Fabio Nudelman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

minerva and minepy: a C engine for the MINE suite and its R, Python and MATLAB wrappers

(2012) Davide Albanese et al.   BIOINFORMATICS

Nano-graphene in biomedicine: theranostic applications

(2012) Kai Yang et al.   CHEMICAL SOCIETY REVIEWS

Enhanced Wang Landau sampling of adsorbed protein conformations

(2012) Mithun Radhakrishna et al.   JOURNAL OF CHEMICAL PHYSICS

Comparing Conformational Ensembles Using the Kullback–Leibler Divergence Expansion

(2012) Christopher L. McClendon et al.   Journal of Chemical Theory and Computation

Structure of a Peptide Adsorbed on Graphene and Graphite

(2012) Jyoti Katoch et al.   NANO LETTERS

Stability of peptide (P1 and P2) binding to a graphene sheet via an all-atom to all-residue coarse-grained approach

(2012) R. B. Pandey et al.   Soft Matter

Biological Interactions of Graphene-Family Nanomaterials: An Interdisciplinary Review

(2011) Vanesa C. Sanchez et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity

(2011) Guanghong Zuo et al.   Journal of Physical Chemistry C

Binding of blood proteins to carbon nanotubes reduces cytotoxicity

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

Detecting Novel Associations in Large Data Sets

(2011) D. N. Reshef et al.   SCIENCE

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Neighbor-Dependent Ramachandran Probability Distributions of Amino Acids Developed from a Hierarchical Dirichlet Process Model

(2010) Daniel Ting et al.   PLoS Computational Biology

Synthesis of Rod-Shaped Gold Nanorattles with Improved Plasmon Sensitivity and Catalytic Activity

(2009) Yuriy Khalavka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The “Hot-Solvent/Cold-Solute” Problem Revisited

(2008) M. Lingenheil et al.   Journal of Chemical Theory and Computation

A generative, probabilistic model of local protein structure

(2008) Wouter Boomsma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation