Effect of Kinase Inhibiting RNase Attenuator (KIRA) Compounds on the Formation of Face-to-Face Dimers of Inositol-Requiring Enzyme 1: Insights from Computational Modeling

Small molecule inhibition of IRE1α kinase/RNase has anti-fibrotic effects in the lung

(2019) Maike Thamsen et al.   PLoS One

Atomic-level characterization of protein–protein association

(2019) Albert C. Pan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

What method to use for protein–protein docking?

(2019) Kathryn A Porter et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Structural mechanism for Bruton’s tyrosine kinase activation at the cell membrane

(2019) Qi Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Endoplasmic Reticulum Stress signalling - from basic mechanisms to clinical applications

(2018) Aitor Almanza et al.   FEBS Journal

HSYMDOCK: a docking web server for predicting the structure of protein homo-oligomers with Cn or Dn symmetry

(2018) Yumeng Yan et al.   NUCLEIC ACIDS RESEARCH

Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview

(2018) Veronica Salmaso et al.   Frontiers in Pharmacology

The ClusPro web server for protein–protein docking

(2017) Dima Kozakov et al.   Nature Protocols

Structural and Functional Analysis of the Allosteric Inhibition of IRE1α with ATP-Competitive Ligands

(2016) Hannah C. Feldman et al.   ACS Chemical Biology

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Endoplasmic reticulum stress associated responses in cancer

(2014) Wen-An Wang et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH

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

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

Allosteric Inhibition of the IRE1α RNase Preserves Cell Viability and Function during Endoplasmic Reticulum Stress

(2014) Rajarshi Ghosh et al.   CELL

Druggable sensors of the unfolded protein response

(2014) Dustin J Maly et al.   Nature Chemical Biology

Unfolded Protein Response in Cancer: IRE1α Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability

(2014) Paul E. Harrington et al.   ACS Medicinal Chemistry Letters

Structure and mechanism of action of the hydroxy–aryl–aldehyde class of IRE1 endoribonuclease inhibitors

(2014) Mario Sanches et al.   Nature Communications

SwarmDock: a server for flexible protein–protein docking

(2013) Mieczyslaw Torchala et al.   BIOINFORMATICS

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Isothermal-isobaric molecular dynamics using stochastic velocity rescaling

(2009) Giovanni Bussi et al.   JOURNAL OF CHEMICAL PHYSICS

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

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