Computational investigation of cold denaturation in the Trp-cage miniprotein

Consistent Treatment of Hydrophobicity in Protein Lattice Models Accounts for Cold Denaturation

(2016) Erik van Dijk et al.   PHYSICAL REVIEW LETTERS

Cold Denaturation Unveiled: Molecular Mechanism of the Asymmetric Unfolding of Yeast Frataxin

(2015) Domenico Sanfelice et al.   CHEMPHYSCHEM

Systematic characterization of protein folding pathways using diffusion maps: Application to Trp-cage miniprotein

(2015) Sang Beom Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Water Mediated Interactions and the Protein Folding Phase Diagram in the Temperature–Pressure Plane

(2015) Brian J. Sirovetz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quantitative Assessments of the Distinct Contributions of Polypeptide Backbone Amides versus Side Chain Groups to Chain Expansion via Chemical Denaturation

(2015) Alex S. Holehouse et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Contribution of Water to Pressure and Cold Denaturation of Proteins

(2015) Valentino Bianco et al.   PHYSICAL REVIEW LETTERS

Viscosity of deeply supercooled water and its coupling to molecular diffusion

(2015) Amine Dehaoui et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

(2015) Amir Haji-Akbari et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational Study of the Stability of the Miniprotein Trp-Cage, the GB1 β-Hairpin, and the AK16 Peptide, under Negative Pressure

(2014) Harold W. Hatch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A fully atomistic computer simulation study of cold denaturation of a β-hairpin

(2014) Changwon Yang et al.   Nature Communications

High-pressure NMR reveals close similarity between cold and alcohol protein denaturation in ubiquitin

(2013) N. Vajpai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Unusual Cold Denaturation of a Small Protein Domain

(2012) Ginka S. Buchner et al.   BIOCHEMISTRY

Role of Hydrophobic Hydration in Protein Stability: A 3D Water-Explicit Protein Model Exhibiting Cold and Heat Denaturation

(2012) Silvina Matysiak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Sitting at the Edge: How Biomolecules use Hydrophobicity to Tune Their Interactions and Function

(2012) Amish J. Patel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations

(2011) Sumanth N. Jamadagni et al.   Annual Review of Chemical and Biomolecular Engineering

Mapping hydrophobicity at the nanoscale: Applications to heterogeneous surfaces and proteins

(2010) Hari Acharya et al.   FARADAY DISCUSSIONS

Protein Simulations with an Optimized Water Model: Cooperative Helix Formation and Temperature-Induced Unfolded State Collapse

(2010) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quantifying Water Density Fluctuations and Compressibility of Hydration Shells of Hydrophobic Solutes and Proteins

(2009) Sapna Sarupria et al.   PHYSICAL REVIEW LETTERS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Mechanistic Elements of Protein Cold Denaturation†

(2008) Carlos F. Lopez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Microscopic Mechanism for Cold Denaturation

(2008) Cristiano L. Dias et al.   PHYSICAL REVIEW LETTERS

Computing the stability diagram of the Trp-cage miniprotein

(2008) D. Paschek 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