Modulation of Structure and Dynamics of Cardiac Troponin by Phosphorylation and Mutations Revealed by Molecular Dynamics Simulations

Suppression of lusitropy as a disease mechanism in cardiomyopathies

(2023) Steven Marston et al.   Frontiers in Cardiovascular Medicine

Modulation of cardiac thin filament structure by phosphorylated troponin-I analyzed by protein-protein docking and molecular dynamics simulation

(2022) Elumalai Pavadai et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Recent studies of the molecular mechanism of lusitropy due to phosphorylation of cardiac troponin I by protein kinase A

(2022) Steven Marston   JOURNAL OF MUSCLE RESEARCH AND CELL MOTILITY

The structure of the native cardiac thin filament at systolic Ca2+ levels

(2021) Cristina M. Risi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dilated Cardiomyopathy Mutations and Phosphorylation disrupt the Active Orientation of Cardiac Troponin C

(2021) Zabed Mahmud et al.   JOURNAL OF MOLECULAR BIOLOGY

Cardiac muscle thin filament structures reveal calcium regulatory mechanism

(2020) Yurika Yamada et al.   Nature Communications

Phosphorylation of Troponin I finely controls the positioning of Troponin for the optimal regulation of cardiac muscle contraction

(2020) Ehsan Kachooei et al.   JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY

Molecular Defects in Cardiac Myofilament Ca2+-Regulation Due to Cardiomyopathy-Linked Mutations Can Be Reversed by Small Molecules Binding to Troponin

(2018) Alice Sheehan et al.   Frontiers in Physiology

Changes in the dynamics of the cardiac troponin C molecule explain the effects of Ca2+-sensitizing mutations

(2017) Charles M. Stevens et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein Structures

(2017) Harry C Jubb et al.   JOURNAL OF MOLECULAR BIOLOGY

Mutations in troponin T associated with Hypertrophic Cardiomyopathy increase Ca2+-sensitivity and suppress the modulation of Ca2+-sensitivity by troponin I phosphorylation

(2016) Andrew E. Messer et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Troponins, intrinsic disorder, and cardiomyopathy

(2016) Insung Na et al.   BIOLOGICAL CHEMISTRY

Troponin structure: its modulation by Ca2+ and phosphorylation studied by molecular dynamics simulations

(2016) Juan Eiros Zamora et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Importance of Intrinsically Disordered Segments of Cardiac Troponin in Modulating Function by Phosphorylation and Disease-Causing Mutations

(2016) Maria Papadaki et al.   Frontiers in Physiology

Why Is there a Limit to the Changes in Myofilament Ca2+-Sensitivity Associated with Myopathy Causing Mutations?

(2016) Steven B. Marston   Frontiers in Physiology

A dilated cardiomyopathy mutation blunts adrenergic response and induces contractile dysfunction under chronic angiotensin II stress

(2015) Ross Wilkinson et al.   AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

(2015) Chad W. Hopkins et al.   Journal of Chemical Theory and Computation

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Computational Studies of the Effect of the S23D/S24D Troponin I Mutation on Cardiac Troponin Structural Dynamics

(2014) Yuanhua Cheng et al.   BIOPHYSICAL JOURNAL

Regulatory domain of troponin moves dynamically during activation of cardiac muscle

(2014) Ivanka Sevrieva et al.   JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY

The cardiac-specific N-terminal region of troponin I positions the regulatory domain of troponin C

(2014) Peter M. Hwang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Investigating the role of uncoupling of troponin I phosphorylation from changes in myofibrillar Ca2+-sensitivity in the pathogenesis of cardiomyopathy

(2014) Andrew E. Messer et al.   Frontiers in Physiology

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Long-Timescale Molecular Dynamics Simulations Elucidate the Dynamics and Kinetics of Exposure of the Hydrophobic Patch in Troponin C

(2012) Steffen Lindert et al.   BIOPHYSICAL JOURNAL

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

(2012) Scott Le Grand et al.   COMPUTER PHYSICS COMMUNICATIONS

The Rates of Ca2+Dissociation and Cross-bridge Detachment from Ventricular Myofibrils as Reported by a Fluorescent Cardiac Troponin C

(2012) Sean C. Little et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Revised AMBER Parameters for Bioorganic Phosphates

(2012) T. Steinbrecher et al.   Journal of Chemical Theory and Computation

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Molecular Basis of Calcium-Sensitizing and Desensitizing Mutations of the Human Cardiac Troponin C Regulatory Domain: A Multi-Scale Simulation Study

(2012) Peter Michael Kekenes-Huskey et al.   PLoS Computational Biology

How Do Mutations in Contractile Proteins Cause the Primary Familial Cardiomyopathies?

(2011) Steven B. Marston   Journal of Cardiovascular Translational Research

Functional Analysis of a Unique Troponin C Mutation, GLY159ASP, that Causes Familial Dilated Cardiomyopathy, Studied in Explanted Heart Muscle

(2009) Emma C. Dyer et al.   Circulation-Heart Failure

The Dilated Cardiomyopathy G159D Mutation in Cardiac Troponin C Weakens the Anchoring Interaction with Troponin I†

(2008) Olga K. Baryshnikova et al.   BIOCHEMISTRY

Modulation of Cardiac Troponin C Function by the Cardiac-Specific N-Terminus of Troponin I: Influence of PKA Phosphorylation and Involvement in Cardiomyopathies

(2007) Olga K. Baryshnikova et al.   JOURNAL OF MOLECULAR BIOLOGY