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

Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces

(2012) Galen Collier et al.   Biointerphases

Structure of a Peptide Adsorbed on Graphene and Graphite

(2012) Jyoti Katoch et al.   NANO LETTERS

A simulation study of the self-assembly of coarse-grained skin lipids

(2012) K. R. Hadley et al.   Soft Matter

Aggregation Properties of a Polymeric Anticancer Therapeutic: A Coarse-Grained Modeling Study

(2011) Lili X. Peng et al.   Journal of Chemical Information and Modeling

A New Coarse-Grained Force Field for Membrane–Peptide Simulations

(2011) Zhe Wu et al.   Journal of Chemical Theory and Computation

Protofibrillar Assembly Toward the Formation of Amyloid Fibrils

(2011) Jesper Sørensen et al.   Journal of Physical Chemistry Letters

Preferential Binding of Peptides to Graphene Edges and Planes

(2011) Sang N. Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scaffolding of an antimicrobial peptide (KSL) by a scale-down coarse-grained approach

(2011) R. S. Hissam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modelling molecule–surface interactions—an automated quantum-classical approach using a genetic algorithm

(2011) Claudia R. Herbers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

(2011) Jie Feng et al.   Soft Matter

Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

(2011) David N. LeBard et al.   Soft Matter

Bioassembled Layered Silicate-Metal Nanoparticle Hybrids

(2010) Lawrence F. Drummy et al.   ACS Applied Materials & Interfaces

Interaction of peptides with graphene oxide and its application for real-time monitoring of protease activity

(2010) Min Zhang et al.   CHEMICAL COMMUNICATIONS

Biofunctionalization and immobilization of a membrane via peptide binding (CR3-1, S2) by a Monte Carlo simulation

(2010) R. B. Pandey et al.   JOURNAL OF CHEMICAL PHYSICS

Globular structure of a human immunodeficiency virus-1 protease (1DIFA dimer) in an effective solvent medium by a Monte Carlo simulation

(2010) R. B. Pandey et al.   JOURNAL OF CHEMICAL PHYSICS

Layer of clay platelets in a peptide matrix: Binding, encapsulation, and morphology

(2010) Ras B. Pandey et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Chemical Functionalization of Graphene Enabled by Phage Displayed Peptides

(2010) Yue Cui et al.   NANO LETTERS

Challenges in protein-folding simulations

(2010) Peter L. Freddolino et al.   Nature Physics

Protein-Mediated Layer-by-Layer Syntheses of Freestanding Microscale Titania Structures with Biologically Assembled 3-D Morphologies

(2009) Yunnan Fang et al.   CHEMISTRY OF MATERIALS

A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

(2009) Chinagandham Rajesh et al.   JOURNAL OF CHEMICAL PHYSICS

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

(2009) Hendrik Heinz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation

(2009) R. B. Pandey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational techniques for efficient conformational sampling of proteins

(2008) Adam Liwo et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

(2008) F. Iori et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Conformation of a coarse-grained protein chain (an aspartic acid protease) model in effective solvent by a bond-fluctuating Monte Carlo simulation

(2008) R. B. Pandey et al.   PHYSICAL REVIEW E