Achieving Secondary Structural Resolution in Kinetic Measurements of Protein Folding: A Case Study of the Folding Mechanism of Trp-cage

Optimal Salt Bridge for Trp-Cage Stabilization

(2011) D. Victoria Williams et al.   BIOCHEMISTRY

Kinetic Network Study of the Diversity and Temperature Dependence of Trp-Cage Folding Pathways: Combining Transition Path Theory with Stochastic Simulations

(2011) Weihua Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Direct Assessment of the α-Helix Nucleation Time

(2011) Arnaldo L. Serrano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water dynamics clue to key residues in protein folding

(2010) Meng Gao et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations

(2010) Camilo Velez-Vega et al.   JOURNAL OF CHEMICAL PHYSICS

Protein Folding Simulations Combining Self-Guided Langevin Dynamics and Temperature-Based Replica Exchange

(2010) Michael S. Lee et al.   Journal of Chemical Theory and Computation

Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories

(2010) Neil J. Bruce et al.   Journal of Chemical Theory and Computation

Secondary Structure Propensities in Peptide Folding Simulations: A Systematic Comparison of Molecular Mechanics Interaction Schemes

(2009) Dirk Matthes et al.   BIOPHYSICAL JOURNAL

Loss of Dispersion Energy Changes the Stability and Folding/Unfolding Equilibrium of the Trp-Cage Protein

(2009) Jiří Černý et al.   JOURNAL OF PHYSICAL CHEMISTRY B

2D-IR Experiments and Simulations of the Coupling between Amide-I and Ionizable Side Chains in Proteins: Application to the Villin Headpiece

(2009) Sayan Bagchi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temperature and urea induced denaturation of the TRP-cage mini protein TC5b: A simulation study consistent with experimental observations

(2009) Z. Gattin et al.   PROTEIN SCIENCE

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

(2009) Fabrizio Marinelli et al.   PLoS Computational Biology

Dynamics and cooperativity of Trp-cage folding

(2008) Zehan Hu et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Key residue-dominated protein folding dynamics

(2008) Xin-Qiu Yao et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Ab initio folding simulation of Trpcage by replica exchange with hybrid Hamiltonian

(2008) Weixin Xu et al.   BIOPHYSICAL CHEMISTRY

High Resolution Approach to the Native State Ensemble Kinetics and Thermodynamics

(2008) Sangwook Wu et al.   BIOPHYSICAL JOURNAL

Folding Kinetics of a Naturally Occurring Helical Peptide: Implication of the Folding Speed Limit of Helical Proteins

(2008) Smita Mukherjee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent

(2008) Yassmine Chebaro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

The Trp-cage: optimizing the stability of a globular miniprotein

(2008) B. Barua et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations

(2008) Srinivasaraghavan Kannan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Cooperation between a Salt Bridge and the Hydrophobic Core Triggers Fold Stabilization in a Trp-Cage Miniprotein†

(2007) Péter Hudáky et al.   BIOCHEMISTRY