Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein

Characterizing Short-Lived Protein Folding Intermediates by Top-Down Hydrogen Exchange Mass Spectrometry

(2010) Jingxi Pan et al.   ANALYTICAL CHEMISTRY

β-hairpin-forming peptides; models of early stages of protein folding

(2010) Agnieszka Lewandowska et al.   BIOPHYSICAL CHEMISTRY

Equilibrium Sampling for Biomolecules under Mechanical Tension

(2010) Xiancheng Zeng et al.   BIOPHYSICAL JOURNAL

Molecular Dynamics Analysis of the Conformations of a β-Hairpin Miniprotein

(2010) Marcus P. D. Hatfield et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulation reveals preorganization of the chloroplast FtsY towards complex formation induced by GTP binding

(2010) Ming-Jun Yang et al.   JOURNAL OF STRUCTURAL BIOLOGY

Dueling Post-Translational Modifications Trigger Folding and Unfolding of a β-Hairpin Peptide

(2010) Alexander J. Riemen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Temperature Jump and Fast Photochemical Oxidation Probe Submillisecond Protein Folding

(2010) Jiawei Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds

(2010) Li L. Duan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Weighing up protein folding

(2010) Martin Gruebele   NATURE

The folding cooperativity of a protein is controlled by its chain topology

(2010) Elizabeth A. Shank et al.   NATURE

Challenges in protein-folding simulations

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

Water's role in the force-induced unfolding of ubiquitin

(2010) J. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational and single-molecule force studies of a macro domain protein reveal a key molecular determinant for mechanical stability

(2010) D. L. Guzman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quench-flow experiments combined with mass spectrometry show apomyoglobin folds through an obligatory intermediate

(2010) Vickie Tsui et al.   PROTEIN SCIENCE

Molecular dynamics simulation of SRP GTPases: Towards an understanding of the complex formation from equilibrium fluctuations

(2010) Mingjun Yang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

2D-IR spectroscopy: ultrafast insights into biomolecule structure and function

(2009) Neil T. Hunt   CHEMICAL SOCIETY REVIEWS

Fundamental Reaction Mechanism and Free Energy Profile for (−)-Cocaine Hydrolysis Catalyzed by Cocaine Esterase

(2009) Junjun Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Subnanomolar Inhibitor of Cytochromebc1Complex Designed by Optimizing Interaction with Conformationally Flexible Residues

(2009) Pei-Liang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amide I Two-Dimensional Infrared Spectroscopy of Proteins

(2008) Ziad Ganim et al.   ACCOUNTS OF CHEMICAL RESEARCH

Force-induced unfolding of human telomeric G-quadruplex: A steered molecular dynamics simulation study

(2008) Hui Li et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Flow-Induced Structural Transition in the β-Switch Region of Glycoprotein Ib

(2008) Zhongzhou Chen et al.   BIOPHYSICAL JOURNAL

Remote Mutations and Active Site Dynamics Correlate with Catalytic Properties of Purine Nucleoside Phosphorylase

(2008) Suwipa Saen-Oon et al.   BIOPHYSICAL JOURNAL

Modeling Differential Binding of α4β2 Nicotinic Acetylcholine Receptor with Agonists and Antagonists

(2008) Xiaoqin Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2′ Domains in Ligand Binding to PPAR-γ

(2008) C. G. Ji et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal Structure of a Ten-Amino Acid Protein

(2008) Shinya Honda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bond Selection in the Photoisomerization Reaction of Anionic Green Fluorescent Protein and Kindling Fluorescent Protein Chromophore Models

(2008) Seth Olsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Using steered molecular dynamics simulations and single-molecule force spectroscopy to guide the rational design of biomimetic modular polymeric materials

(2008) Dora L. Guzmán et al.   POLYMER

Mechanical unfolding pathway and origin of mechanical stability of proteins of ubiquitin family: An investigation by steered molecular dynamics simulation

(2008) Atanu Das et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Molecular Basis of Fibrin Clot Elasticity

(2008) Bernard B.C. Lim et al.   STRUCTURE

Prototyping bio-nanorobots using molecular dynamics simulation and virtual reality

(2007) Mustapha Hamdi et al.   MICROELECTRONICS JOURNAL