A new set of atomic radii for accurate estimation of solvation free energy by Poisson–Boltzmann solvent model

por Yamagishi, Junya, Okimoto, Noriaki, Morimoto, Gentaro, Taiji, Makoto
Publicado 2014

Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein–Ligand Binding Affinities: A Case Study Using Tankyrase 2 Inhibitors

por Okimoto, Noriaki, Otsuka, Takao, Hirano, Yoshinori, Taiji, Makoto
Publicado 2018

Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding

por Hirano, Yoshinori, Okimoto, Noriaki, Fujita, Shigeo, Taiji, Makoto
Publicado 2021

MDGRAPE-4: a special-purpose computer system for molecular dynamics simulations

por Ohmura, Itta, Morimoto, Gentaro, Ohno, Yousuke, Hasegawa, Aki, Taiji, Makoto
Publicado 2014

All-atom molecular dynamics analysis of multi-peptide systems reproduces peptide solubility in line with experimental observations

por Kuroda, Yutaka, Suenaga, Atsushi, Sato, Yuji, Kosuda, Satoshi, Taiji, Makoto
Publicado 2016

Large-scale all-atom molecular dynamics alanine-scanning of IAPP octapeptides provides insights into the molecular determinants of amyloidogenicity

por Tambi, Richa, Morimoto, Gentaro, Kosuda, Satoshi, Taiji, Makoto, Kuroda, Yutaka
Publicado 2019

Interfacial Layer Breaker: A Violation of Stokes’ Law in High-Speed Atomic Force Microscope Flows

por Li, Fan, Smoukov, Stoyan K., Korotkin, Ivan, Taiji, Makoto, Karabasov, Sergey
Publicado 2022

Theoretical insights into the DNA repair function of Arabidopsis thaliana cryptochrome-DASH

por Sato, Ryuma, Mori, Yoshiharu, Matsui, Risa, Okimoto, Noriaki, Yamamoto, Junpei, Taiji, Makoto
Publicado 2020

Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation

por Komatsu, Teruhisa S., Okimoto, Noriaki, Koyama, Yohei M., Hirano, Yoshinori, Morimoto, Gentaro, Ohno, Yousuke, Taiji, Makoto
Publicado 2020

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

por Okimoto, Noriaki, Futatsugi, Noriyuki, Fuji, Hideyoshi, Suenaga, Atsushi, Morimoto, Gentaro, Yanai, Ryoko, Ohno, Yousuke, Narumi, Tetsu, Taiji, Makoto
Publicado 2009

A pre-metazoan origin of the CRK gene family and co-opted signaling network

por Shigeno-Nakazawa, Yoko, Kasai, Takuma, Ki, Sewon, Kostyanovskaya, Elina, Pawlak, Jana, Yamagishi, Junya, Okimoto, Noriaki, Taiji, Makoto, Okada, Mariko, Westbrook, Jody, Satta, Yoko, Kigawa, Takanori, Imamoto, Akira
Publicado 2016

FGF9 monomer/dimer equilibrium regulates extracellular matrix affinity and tissue diffusion

por Harada, Masayo, Murakami, Hirotaka, Okawa, Akihiko, Okimoto, Noriaki, Hiraoka, Shuichi, Nakahara, Taka, Akasaka, Ryogo, Shiraishi, Yo-ichi, Futatsugi, Noriyuki, Mizutani-Koseki, Yoko, Kuroiwa, Atsushi, Shirouzu, Mikako, Yokoyama, Shigeyuki, Taiji, Makoto, Iseki, Sachiko, Ornitz, David M., Koseki, Haruhiko
Publicado 2009