Exploring the Origin of Differential Binding Affinities of Human Tubulin Isotypes αβII, αβIII and αβIV for DAMA-Colchicine Using Homology Modelling, Molecular Docking and Molecular Dynamics Simulations

Design and application of implicit solvent models in biomolecular simulations

(2014) Jens Kleinjung et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Molecular insight of isotypes specific β-tubulin interaction of tubulin heterodimer with noscapinoids

(2014) Seneha Santoshi et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

REMD and umbrella sampling simulations to probe the energy barrier of the folding pathways of engrailed homeodomain

(2014) Vinod Jani et al.   JOURNAL OF MOLECULAR MODELING

Exploration of the binding mode between (−)-zampanolide and tubulin using docking and molecular dynamics simulation

(2014) Si-Yan Liao et al.   JOURNAL OF MOLECULAR MODELING

CXI-benzo-84 reversibly binds to tubulin at colchicine site and induces apoptosis in cancer cells

(2013) Ankit Rai et al.   BIOCHEMICAL PHARMACOLOGY

Insight into the Oseltamivir Resistance R292K Mutation in H5N1 Influenza Virus: A Molecular Docking and Molecular Dynamics Approach

(2013) V. Karthick et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

Analysis Tool Web Services from the EMBL-EBI

(2013) Hamish McWilliam et al.   NUCLEIC ACIDS RESEARCH

Discrimination of Ligands with Different Flexibilities Resulting from the Plasticity of the Binding Site in Tubulin

(2012) Soumyananda Chakraborti et al.   BIOCHEMISTRY

Magnesium Ion–Water Coordination and Exchange in Biomolecular Simulations

(2012) Olof Allnér et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulation study of tubulin dimer interaction with cytostatics

(2012) L. R. Varzhabetyan et al.   MOLECULAR BIOLOGY

Molecular Dynamics Simulation of the Complex PBP-2x with Drug Cefuroxime to Explore the Drug Resistance Mechanism of Streptococcus suis R61

(2012) Yan Ge et al.   PLoS One

Understanding the Basis of Drug Resistance of the Mutants of αβ-Tubulin Dimer via Molecular Dynamics Simulations

(2012) Kathiresan Natarajan et al.   PLoS One

Characterization of the Colchicine Binding Site on Avian Tubulin Isotype βVI

(2010) Shubhada Sharma et al.   BIOCHEMISTRY

Human TUBB3 Mutations Perturb Microtubule Dynamics, Kinesin Interactions, and Axon Guidance

(2010) Max A. Tischfield et al.   CELL

Mutations in the neuronal β-tubulin subunit TUBB3 result in malformation of cortical development and neuronal migration defects

(2010) Karine Poirier et al.   HUMAN MOLECULAR GENETICS

Quantitative analysis of the effect of tubulin isotype expression on sensitivity of cancer cell lines to a set of novel colchicine derivatives

(2010) Chih-Yuan Tseng et al.   Molecular Cancer

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

Mutations in the β-tubulin gene TUBB2B result in asymmetrical polymicrogyria

(2009) Xavier Hubert Jaglin et al.   NATURE GENETICS