Masakazu Sekijima

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Japan

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Recent Grants

Grant: Close

Trypanosome parasite remedy search by the fusion of in silico and in vitro

Open Date: 2015-04-01

Close Date: 2019-03-31

Grant: Close

Enhancement of drug discovery of NTDs based on in silico computer-based modeling technologies

Open Date: 2013-04-01

Close Date: 2015-03-31

Grant: Close

The development of new drug design approach to the multiple molecular targeted

Open Date: 2012-04-01

Close Date: 2017-03-31

Grant: Close

Macromolecular Potential Energy Decoder Based on Graphical Model

Open Date: 2011-01-01

Close Date: 2013-12-31

Grant: Close

Free Energy Landscape Analysis of Prion Protein

Open Date: 2007-01-01

Close Date: 2008-12-31

Articles (20)

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2025

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2024

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2024

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2022

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2022

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2021

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2021

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2021

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2020

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2020

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2020

Collaborators (13)

Shigeru Kobayashi

Project Assistant Professor

University of Tokyo

JAPAN

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Alexandre M.J.J. Bonvin

Utrecht University

NETHERLANDS

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Brian Pierce

University of Maryland

UNITED STATES

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Takashi Ishida

Associate professor

Tokyo Insitute of Technology

JAPAN

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Daniel Ken INAOKA

Associate Professor

Nagasaki University

JAPAN

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Romina Oliva

Associate Professor

Università degli Studi di Napoli Parthenope

ITALY

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Ryo Nakayama

Specially-appointed Assistant Professor

University of Tokyo

JAPAN

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NOBUAKI YASUO

Specially Appointed Associate Professor (Lecturer)

Tokyo Institute of Technology

JAPAN

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Rafal Slusarz

University of Gdańsk

POLAND

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Adam K. Sieradzan

University of Gdańsk

POLAND

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Kazuki Takeda

Assistant professor

Kitasato University

JAPAN

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Guillaume Brysbaert

CNRS

FRANCE

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Paul Bates

Head of Biomolecular Modelling Laboratory

The Francis Crick Institute

UNITED KINGDOM

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Masakazu Sekijima

Research Interests

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Contact this professor

Recent Grants

Articles (20)

DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance

Mothra: Multiobjective de novo Molecular Generation Using Monte Carlo Tree Search

IEV2Mol: Molecular Generative Model Considering Protein–Ligand Interaction Energy Vectors

Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases

Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro, and X-ray Crystallography

Impact of <scp>AlphaFold</scp> on structure prediction of protein complexes: The <scp>CASP15‐CAPRI</scp> experiment

Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning

Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case

Toxicokinetic analysis of the anticoagulant rodenticides warfarin &amp; diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon)

Dephospho-Coenzyme A Kinase Is an Exploitable Drug Target against Plasmodium falciparum: Identification of Selective Inhibitors by High-Throughput Screening of a Large Chemical Compound Library

Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides

Statistical potentials for RNA-protein interactions optimized by CMA-ES

Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis

Effect of charged mutation on aggregation of a pentapeptide: Insights from molecular dynamics simulations

MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning

Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project

Tackling Covid‐19 using disordered‐to‐order transition of residues in the spike protein upon angiotensin‐converting enzyme 2 binding

Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates

Bayesian statistics-based analysis of AC impedance spectra

Membrane Phospholipid Analogues as Molecular Rulers to Probe the Position of the Hydrophobic Contact Point of Lysophospholipid Ligands on the Surface of G-Protein-Coupled Receptor during Membrane Approach

Collaborators (13)

Shigeru Kobayashi

Alexandre M.J.J. Bonvin

Brian Pierce

Takashi Ishida

Daniel Ken INAOKA

Romina Oliva

Ryo Nakayama

NOBUAKI YASUO

Rafal Slusarz

Adam K. Sieradzan

Kazuki Takeda

Guillaume Brysbaert

Paul Bates

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Toxicokinetic analysis of the anticoagulant rodenticides warfarin & diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon)