List of works - Tadaomi Furuta

A fluorescent protein scaffold for presenting structurally constrained peptides provides an effective screening system to identify high affinity target-binding peptides

scientific article

A novel ring-shaped reaction pathway with interconvertible intermediates in chitinase A as revealed by QM/MM simulation combined with a one-dimensional projection technique

scientific article published on 08 November 2019

ATP Hydrolysis Mechanism in a Maltose Transporter Explored by QM/MM Metadynamics Simulation

scientific article published on 21 October 2016

Alanine substitution in cellobiohydrolase provides new insights into substrate threading.

scientific article published on 24 November 2017

Analysis of Arabidopsis TPK2 and KCO3 reveals structural properties required for K+ channel function

scientific article published on 01 December 2020

Analysis of an ATP-induced conformational transition of ABC transporter MsbA using a coarse-grained model.

scientific article published on 5 December 2017

Analysis of the Free Energy Landscapes for the Opening-Closing Dynamics of the Maltose Transporter ATPase MalK2 Using Enhanced-Sampling Molecular Dynamics Simulation

scientific article published on 21 July 2015

Analysis of the structural and functional roles of coupling helices in the ATP-binding cassette transporter MsbA through enzyme assays and molecular dynamics simulations.

scientific article published on 25 June 2014

Cationic Copolymer-Chaperoned 2D-3D Reversible Conversion of Lipid Membranes

scientific article published on 24 September 2019

Design Strategy to Create Antibody Mimetics Harbouring Immobilised Complementarity Determining Region Peptides for Practical Use

scientific article published on 21 January 2020

Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporter

scientific article published on 15 May 2019

Different inhibitory potency of febuxostat towards mammalian and bacterial xanthine oxidoreductases: insight from molecular dynamics.

scientific article published on 23 March 2012

Disturbed biopterin and folate metabolism in the Qdpr-deficient mouse

scientific article published on 19 September 2014

Dynamic behavior of an artificial protein needle contacting a membrane observed by high-speed atomic force microscopy

scientific article published on 02 April 2020

Group 3 LEA Protein Model Peptides Suppress Heat-Induced Lysozyme Aggregation. Elucidation of the Underlying Mechanism Using Coarse-Grained Molecular Simulations

scientific article published on 30 March 2020

Highly Ordered Polypeptide with UCST Phase Separation Behavior

scientific article published on 11 January 2019

In silico chaperonin-like cycle helps folding of proteins for structure prediction.

scientific article

Interaction of amphiphilic α-helical cell-penetrating peptides with heparan sulfate.

scientific article

Kirkwood-Buff Integrals for Aqueous Urea Solutions Based upon the Quantum Chemical Electrostatic Potential and Interaction Energies.

scientific article published on 19 July 2016

Minimum free energy path of ligand-induced transition in adenylate kinase

scientific article (publication date: 2012)

Molecular dynamics simulation study on the structural instability of the most common cystic fibrosis-associated mutant ΔF508-CFTR.

scientific article

Probing native metal ion association sites through quenching of fluorophores in the nucleotide-binding domains of the ABC transporter MsbA.

scientific article published on 21 April 2017

Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin

scientific article published in Nature Communications

Replica exchange molecular dynamics simulation study on the mechanism of desiccation-induced structuralization of an intrinsically disordered peptide as a model of LEA proteins

scientific article published on 29 November 2019

Single-molecule level dynamic observation of disassembly of the apo-ferritin cage in solution

scientific article published on 12 August 2020

Structural Dynamics of the Heterodimeric ABC Transporter TM287/288 Induced by ATP and Substrate Binding.

scientific article published on 28 November 2016

The Power Stroke Driven by ATP Binding in CFTR As Studied by Molecular Dynamics Simulations ⬇️

scientific article published on December 19, 2012

The Tryptophan Residue at the Active Site Tunnel Entrance of Trichoderma reesei Cellobiohydrolase Cel7A Is Important for Initiation of Degradation of Crystalline Cellulose ⬇️

scientific article published on March 26, 2013

The mechanism of nucleotide-binding domain dimerization in the intact maltose transporter as studied by all-atom molecular dynamics simulations.

scientific article published in December 2017

The mechanosensitive channel YbdG from Escherichia coli has a role in adaptation to osmotic up-shock

scientific article published on 29 June 2019

List of works by Tadaomi Furuta

A fluorescent protein scaffold for presenting structurally constrained peptides provides an effective screening system to identify high affinity target-binding peptides

A novel ring-shaped reaction pathway with interconvertible intermediates in chitinase A as revealed by QM/MM simulation combined with a one-dimensional projection technique

ATP Hydrolysis Mechanism in a Maltose Transporter Explored by QM/MM Metadynamics Simulation

Alanine substitution in cellobiohydrolase provides new insights into substrate threading.

Analysis of Arabidopsis TPK2 and KCO3 reveals structural properties required for K+ channel function

Analysis of an ATP-induced conformational transition of ABC transporter MsbA using a coarse-grained model.

Analysis of the Free Energy Landscapes for the Opening-Closing Dynamics of the Maltose Transporter ATPase MalK2 Using Enhanced-Sampling Molecular Dynamics Simulation

Analysis of the structural and functional roles of coupling helices in the ATP-binding cassette transporter MsbA through enzyme assays and molecular dynamics simulations.

Cationic Copolymer-Chaperoned 2D-3D Reversible Conversion of Lipid Membranes

Design Strategy to Create Antibody Mimetics Harbouring Immobilised Complementarity Determining Region Peptides for Practical Use

Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporter

Different inhibitory potency of febuxostat towards mammalian and bacterial xanthine oxidoreductases: insight from molecular dynamics.

Disturbed biopterin and folate metabolism in the Qdpr-deficient mouse

Dynamic behavior of an artificial protein needle contacting a membrane observed by high-speed atomic force microscopy

Group 3 LEA Protein Model Peptides Suppress Heat-Induced Lysozyme Aggregation. Elucidation of the Underlying Mechanism Using Coarse-Grained Molecular Simulations

Highly Ordered Polypeptide with UCST Phase Separation Behavior

In silico chaperonin-like cycle helps folding of proteins for structure prediction.

Interaction of amphiphilic α-helical cell-penetrating peptides with heparan sulfate.

Kirkwood-Buff Integrals for Aqueous Urea Solutions Based upon the Quantum Chemical Electrostatic Potential and Interaction Energies.

Minimum free energy path of ligand-induced transition in adenylate kinase

Molecular dynamics simulation study on the structural instability of the most common cystic fibrosis-associated mutant ΔF508-CFTR.

Probing native metal ion association sites through quenching of fluorophores in the nucleotide-binding domains of the ABC transporter MsbA.

Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin

Replica exchange molecular dynamics simulation study on the mechanism of desiccation-induced structuralization of an intrinsically disordered peptide as a model of LEA proteins

Single-molecule level dynamic observation of disassembly of the apo-ferritin cage in solution

Structural Dynamics of the Heterodimeric ABC Transporter TM287/288 Induced by ATP and Substrate Binding.

The Power Stroke Driven by ATP Binding in CFTR As Studied by Molecular Dynamics Simulations ⬇️

The Tryptophan Residue at the Active Site Tunnel Entrance of Trichoderma reesei Cellobiohydrolase Cel7A Is Important for Initiation of Degradation of Crystalline Cellulose ⬇️

The mechanism of nucleotide-binding domain dimerization in the intact maltose transporter as studied by all-atom molecular dynamics simulations.

The mechanosensitive channel YbdG from Escherichia coli has a role in adaptation to osmotic up-shock