List of works - Takeshi Ishikawa

A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-Inhibitor Interactions.

scientific article

A Quinolinone Compound Inhibiting the Oligomerization of Nucleoprotein of Influenza A Virus Prevents the Selection of Escape Mutants

scientific article published on 19 March 2020

A designer molecular chaperone against transmissible spongiform encephalopathy slows disease progression in mice and macaques

scientific article published on 11 February 2019

A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method ⬇️

scientific article published on February 6, 2013

Age of donor of human mesenchymal stem cells affects structural and functional recovery after cell therapy following ischaemic stroke.

scientific article

Ca(2+) monitoring in Plasmodium falciparum using the yellow cameleon-Nano biosensor

scientific article published on 23 March 2016

Characterization of Entamoeba histolytica adenosine 5'-phosphosulfate (APS) kinase; validation as a target and provision of leads for the development of new drugs against amoebiasis

scientific article published on 19 August 2019

Computational study of the competitive binding of valproic acid glucuronide and carbapenem antibiotics to acylpeptide hydrolase.

scientific article

Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex.

scientific article

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations

scientific article published on 20 December 2018

Fragment Molecular Orbital Study of the Interaction between Sarco/Endoplasmic Reticulum Ca-ATPase and its Inhibitor Thapsigargin toward Anti-Malarial Development

scientific article published on 14 August 2018

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

scientific article published on January 2009

Fragment molecular orbital calculations on red fluorescent proteins (DsRed and mFruits).

scientific article published in January 2009

How does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ion

scientific article published on 02 February 2008

Identification of Alprenolol Hydrochloride as an Anti-prion Compound Using Surface Plasmon Resonance Imaging.

scientific article published on 27 April 2018

Identification of small molecule inhibitors for influenza a virus using in silico and in vitro approaches

scientific article

Interaction Analysis of the Native Structure of Prion Protein with Quantum Chemical Calculations

scientific article published in February 2010

Molecular cloning and biochemical characterization of isoprene synthases from the tropical trees Ficus virgata, Ficus septica, and Casuarina equisetifolia.

scientific article

Origin of Stereoselectivity and Substrate/Ligand Recognition in an FAD-Dependent R-Selective Amine Oxidase.

scientific article published on 20 September 2016

Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance

scientific article published on 17 January 2019

Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation

scientific article

Protein-specific force field derived from the fragment molecular orbital method can improve protein-ligand binding interactions.

scientific article published on 19 February 2013

RI-MP2 Gradient Calculation of Large Molecules Using the Fragment Molecular Orbital Method

scientific article published on 18 January 2012

RI-MP3 calculations of biomolecules based on the fragment molecular orbital method

scientific article published on 12 September 2018

Roles of YIGL sequence of Ebola virus VP40 on genome replication and particle production

scientific article published on 11 June 2019

Spin polarized metastable He*(2(3)S, 1s2s) stimulated desorption of H(+) ions.

scientific article

Structure-Based Drug Discovery for Prion Disease Using a Novel Binding Simulation

scientific article

Structure-based drug discovery for combating influenza virus by targeting the PA-PB1 interaction

scientific article published on 25 August 2017

Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-

scientific article published on 01 February 2005

Theoretical study of the prion protein based on the fragment molecular orbital method.

scientific article published in December 2009

Visualization of the Interfacial Electrostatic Complementarity: A Method for Analysis of Protein–Protein Interaction Based on <i>Ab Initio</i> Quantum Chemical Calculations

scientific article published on 25 August 2021

List of works by Takeshi Ishikawa

A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-Inhibitor Interactions.

A Quinolinone Compound Inhibiting the Oligomerization of Nucleoprotein of Influenza A Virus Prevents the Selection of Escape Mutants

A designer molecular chaperone against transmissible spongiform encephalopathy slows disease progression in mice and macaques

A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method ⬇️

Age of donor of human mesenchymal stem cells affects structural and functional recovery after cell therapy following ischaemic stroke.

Ca(2+) monitoring in Plasmodium falciparum using the yellow cameleon-Nano biosensor

Characterization of Entamoeba histolytica adenosine 5'-phosphosulfate (APS) kinase; validation as a target and provision of leads for the development of new drugs against amoebiasis

Computational study of the competitive binding of valproic acid glucuronide and carbapenem antibiotics to acylpeptide hydrolase.

Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex.

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations

Fragment Molecular Orbital Study of the Interaction between Sarco/Endoplasmic Reticulum Ca-ATPase and its Inhibitor Thapsigargin toward Anti-Malarial Development

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Fragment molecular orbital calculations on red fluorescent proteins (DsRed and mFruits).

How does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ion

Identification of Alprenolol Hydrochloride as an Anti-prion Compound Using Surface Plasmon Resonance Imaging.

Identification of small molecule inhibitors for influenza a virus using in silico and in vitro approaches

Interaction Analysis of the Native Structure of Prion Protein with Quantum Chemical Calculations

Molecular cloning and biochemical characterization of isoprene synthases from the tropical trees Ficus virgata, Ficus septica, and Casuarina equisetifolia.

Origin of Stereoselectivity and Substrate/Ligand Recognition in an FAD-Dependent R-Selective Amine Oxidase.

Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance

Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation

Protein-specific force field derived from the fragment molecular orbital method can improve protein-ligand binding interactions.

RI-MP2 Gradient Calculation of Large Molecules Using the Fragment Molecular Orbital Method

RI-MP3 calculations of biomolecules based on the fragment molecular orbital method

Roles of YIGL sequence of Ebola virus VP40 on genome replication and particle production

Spin polarized metastable He*(2(3)S, 1s2s) stimulated desorption of H(+) ions.

Structure-Based Drug Discovery for Prion Disease Using a Novel Binding Simulation

Structure-based drug discovery for combating influenza virus by targeting the PA-PB1 interaction

Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-

Theoretical study of the prion protein based on the fragment molecular orbital method.

Visualization of the Interfacial Electrostatic Complementarity: A Method for Analysis of Protein–Protein Interaction Based on <i>Ab Initio</i> Quantum Chemical Calculations