Protein–protein interactions of human glyoxalase II: findings of a reliable docking protocol

Integrating Cross-Linking Experiments with Ab Initio Protein–Protein Docking

(2018) Thom Vreven et al.   JOURNAL OF MOLECULAR BIOLOGY

The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation

(2018) Nupur Bansal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In vivo and in silico studies to identify mechanisms associated with Nurr1 modulation following early life exposure to permethrin in rats

(2017) Donatella Fedeli et al.   NEUROSCIENCE

A possible S-glutathionylation of specific proteins by glyoxalase II: An in vitro and in silico study

(2016) Luisa Ercolani et al.   CELL BIOCHEMISTRY AND FUNCTION

Predicting Protein–Protein Interactions from the Molecular to the Proteome Level

(2016) Ozlem Keskin et al.   CHEMICAL REVIEWS

Inhibitors of multidrug efflux pumps of Pseudomonas aeruginosa from natural sources: An in silico high-throughput virtual screening and in vitro validation

(2016) Gianmarco Mangiaterra et al.   MEDICINAL CHEMISTRY RESEARCH

Progress and challenges in predicting protein interfaces

(2015) Reyhaneh Esmaielbeiki et al.   BRIEFINGS IN BIOINFORMATICS

High-resolution protein–protein docking by global optimization: recent advances and future challenges

(2015) Hahnbeom Park et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Computational prediction of protein interfaces: A review of data driven methods

(2015) Li C. Xue et al.   FEBS LETTERS

Molecular docking and molecular dynamics studies reveal structural basis of inhibition and selectivity of inhibitors EGCG and OSU-03012 toward glucose regulated protein-78 (GRP78) overexpressed in glioblastoma

(2015) Rituparna Bhattacharjee et al.   JOURNAL OF MOLECULAR MODELING

Permethrin and its metabolites affect Cu/Zn superoxide conformation: fluorescence and in silico evidences

(2015) Gabbianelli Rosita et al.   Molecular BioSystems

ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers

(2014) B. G. Pierce et al.   BIOINFORMATICS

Search strategies and evaluation in protein–protein docking: principles, advances and challenges

(2014) Sheng-You Huang   DRUG DISCOVERY TODAY

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Insights into the influence of 5-HT2c aminoacidic variants with the inhibitory action of serotonin inverse agonists and antagonists

(2014) Roberta Galeazzi et al.   JOURNAL OF MOLECULAR MODELING

Dissecting the Critical Factors for Thermodynamic Stability of Modular Proteins Using Molecular Modeling Approach

(2014) Yuno Lee et al.   PLoS One

An overview of recent advances in structural bioinformatics of protein–protein interactions and a guide to their principles

(2014) Govindarajan Sudha et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

S-D-Lactoylglutathione can be an alternative supply of mitochondrial glutathione

(2013) Tatiana Armeni et al.   FREE RADICAL BIOLOGY AND MEDICINE

DOT2: Macromolecular docking with improved biophysical models

(2013) Victoria A. Roberts et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Sampling and scoring: A marriage made in heaven

(2013) Sandor Vajda et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics

(2013) Abil E. Aliev et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Fibrillation properties of human α1-acid glycoprotein

(2012) Andrea Scirè et al.   BIOCHIMIE

ASPDock: protein-protein docking algorithm using atomic solvation parameters model

(2011) Lin Li et al.   BMC BIOINFORMATICS

Quaternary Centres as a Tool for Modulating Foldamer Conformation

(2011) Roberta Galeazzi et al.   CHEMISTRY-A EUROPEAN JOURNAL

SDOCK: A global protein-protein docking program using stepwise force-field potentials

(2011) Changsheng Zhang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Accelerating Protein Docking in ZDOCK Using an Advanced 3D Convolution Library

(2011) Brian G. Pierce et al.   PLoS One

SwarmDock and the Use of Normal Modes in Protein-Protein Docking

(2010) Iain H. Moal et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Protein–protein docking tested in blind predictions: the CAPRI experiment

(2010) Joël Janin   Molecular BioSystems

Human Glyoxalase II Contains an Fe(II)Zn(II) Center but Is Active as a Mononuclear Zn(II) Enzyme

(2009) Pattraranee Limphong et al.   BIOCHEMISTRY

FRODOCK: a new approach for fast rotational protein–protein docking

(2009) José Ignacio Garzon et al.   BIOINFORMATICS

Plasmodium falciparum glyoxalase II: Theorell-Chance product inhibition patterns, rate-limiting substrate binding via Arg257/Lys260, and unmasking of acid-base catalysis

(2009) Miriam Urscher et al.   BIOLOGICAL CHEMISTRY

$F^2$Dock: Fast Fourier Protein-Protein Docking

(2009) C L Bajaj et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Novel functions of the α-ketoglutarate dehydrogenase complex may mediate diverse oxidant-induced changes in mitochondrial enzymes associated with Alzheimer's disease

(2008) Qingli Shi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE

Recent Progress and Future Directions in Protein-Protein Docking

(2008) David Ritchie   CURRENT PROTEIN & PEPTIDE SCIENCE

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

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

Reaction mechanism of the binuclear zinc enzyme glyoxalase II – A theoretical study

(2008) Shi-Lu Chen et al.   JOURNAL OF INORGANIC BIOCHEMISTRY