Molecular Mechanisms of Glutamine Synthetase Mutations that Lead to Clinically Relevant Pathologies

Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)

(2015) Rodrigo Galindo-Murillo et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Hyperammonemia in gene-targeted mice lacking functional hepatic glutamine synthetase

(2015) Natalia Qvartskhava et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Binding Free Energy Calculations for Lead Optimization: Assessment of Their Accuracy in an Industrial Drug Design Context

(2014) Nadine Homeyer et al.   Journal of Chemical Theory and Computation

Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit

(2013) Jagmohan S. Saini et al.   BIOLOGICAL CHEMISTRY

Constraint Network Analysis (CNA): A Python Software Package for Efficiently Linking Biomacromolecular Structure, Flexibility, (Thermo-)Stability, and Function

(2013) Christopher Pfleger et al.   Journal of Chemical Information and Modeling

Including Explicit Water Molecules as Part of the Protein Structure in MM/PBSA Calculations

(2013) Yong-Liang Zhu et al.   Journal of Chemical Information and Modeling

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

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

Molecular Dynamics Simulations and Structure-Guided Mutagenesis Provide Insight into the Architecture of the Catalytic Core of the Ectoine Hydroxylase

(2013) Nils Widderich et al.   JOURNAL OF MOLECULAR BIOLOGY

Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

(2013) Sarah Barelier et al.   PLoS One

Magnesium Ion–Water Coordination and Exchange in Biomolecular Simulations

(2012) Olof Allnér 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

Global and local indices for characterizing biomolecular flexibility and rigidity

(2012) Christopher Pfleger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Protein damage, repair and proteolysis

(2012) Niki Chondrogianni et al.   MOLECULAR ASPECTS OF MEDICINE

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

Roles of Glutamine Synthetase Inhibition in Epilepsy

(2012) Tore Eid et al.   NEUROCHEMICAL RESEARCH

Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface

(2011) Alexander Metz et al.   Journal of Chemical Information and Modeling

Natural course of glutamine synthetase deficiency in a 3year old patient

(2011) Johannes Häberle et al.   MOLECULAR GENETICS AND METABOLISM

Virtual screening using molecular simulations

(2011) Tianyi Yang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Astrocyte glutamine synthetase: Importance in hyperammonemic syndromes and potential target for therapy

(2010) Saul W. Brusilow et al.   Neurotherapeutics

Protein rigidity and thermophilic adaptation

(2010) Sebastian Radestock et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Probability Distributions of Hydration Water Molecules around Polar Protein Atoms Obtained by a Database Analysis

(2009) Daisuke Matsuoka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Glutamine synthetase becomes nitrated and its activity is reduced during repetitive seizure activity in the pentylentetrazole model of epilepsy

(2008) Hans-J. Bidmon et al.   EPILEPSIA

Inhibitors of Glutamine Synthetase and their Potential Application in Medicine

(2008) Lukasz Berlicki   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Geometric characteristics of hydrogen bonds involving sulfur atoms in proteins

(2008) Peng Zhou et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Crystal Structures of Mammalian Glutamine Synthetases Illustrate Substrate-Induced Conformational Changes and Provide Opportunities for Drug and Herbicide Design

(2007) Wojciech W. Krajewski et al.   JOURNAL OF MOLECULAR BIOLOGY