Shigenori Tanaka

发表

Protein-Ligand Docking Using Artificial Bee Colony Algorithm

Kazuhiro Fujimoto, Shota Uehara, Shigenori Tanaka, 2014 .

Choline Ions Stabilize A-T Base Pairs by Fitting into Minor Groove

Naoki Sugimoto, Miki Nakano, Shigenori Tanaka, 2015 .

Protein-ligand docking using fitness learning-based artificial bee colony with proximity stimuli.

Shota Uehara, Shigenori Tanaka, Kazuhiro J Fujimoto, 2015, Physical chemistry chemical physics : PCCP.

Application of fragment molecular orbital scheme to silicon-containing systems

Kiyoshi Tanaka, Takeshi Ishikawa, Hiroaki Tokiwa, 2006 .

FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

Noriyuki Kurita, Kaori Fukuzawa, Tatsuya Takagi, 2021, J. Chem. Inf. Model..

The ABINIT-MP Program

Hirotoshi Mori, Yoshinobu Akinaga, Yuto Komeiji, 2021 .

Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA)

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2010 .

Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; part II: influence of mutations in transcriptional activation function 2 activating domain core on the molecular interactions.

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2008, The journal of physical chemistry. A.

Large scale FMO-MP2 calculations on a massively parallel-vector computer

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2008 .

Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach

Kaori Fukuzawa, Shigeyuki Yokoyama, Shigenori Tanaka, 2017, J. Chem. Inf. Model..

Development of the four-body corrected fragment molecular orbital (FMO4) method

Kaori Fukuzawa, Yuji Mochizuki, Takayuki Tsukamoto, 2012 .

Novel type of virtual ligand screening on the basis of quantum-chemical calculations for protein–ligand complexes and extended clustering techniques

Kaori Fukuzawa, Shigenori Tanaka, Chiduru Watanabe, 2015 .

Visualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital method.

Yuto Komeiji, Kaori Fukuzawa, Yuji Mochizuki, 2007, Biophysical chemistry.

Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission.

Takeshi Ishikawa, Kaori Fukuzawa, Yuji Mochizuki, 2008, The journal of physical chemistry. B.

Fragment Molecular Orbital (FMO) and FMO-MO Calculations of DNA: Accuracy Validation of Energy and Interfragment Interaction Energy

Yuichi Inadomi, Hiroaki Umeda, Umpei Nagashima, 2009 .

Fragment molecular orbital calculations on red fluorescent protein (DsRed)

Takeshi Ishikawa, Minoru Sakurai, Yuji Mochizuki, 2007 .

Statistical correction to effective interactions in the fragment molecular orbital method

Shigenori Tanaka, Chiduru Watanabe, Yoshio Okiyama, 2013 .

Meteorite impacts on ancient oceans opened up multiple NH3 production pathways.

Kohei Shimamura, Aiichiro Nakano, Fuyuki Shimojo, 2017, Physical chemistry chemical physics : PCCP.

Accuracy of fragmentation in ab initio calculations of hydrated sodium cation

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2009 .

A configuration analysis for fragment interaction

Kaori Fukuzawa, Yuji Mochizuki, Kazuo Kitaura, 2005 .

Fragment molecular orbital calculations under periodic boundary condition

Shigenori Tanaka, Tatsuya Nakano, Takatoshi Fujita, 2011 .

Fragmentation Method Combined with Quantum Monte Carlo Calculations(Atomic and molecular physics)

Ryo Maezono, Richard J. Needs, Shigenori Tanaka, 2007 .

Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator: roles of helix 12 in the coactivator binding mechanism.

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2007, The journal of physical chemistry. B.

Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method.

Kaori Fukuzawa, Yuji Mochizuki, Kazuo Kitaura, 2006, The journal of physical chemistry. B.

DENSITY FUNCTIONAL CALCULATIONS ON THE INTERACTION BETWEEN CATABOLITE ACTIVATOR PROTEIN AND CYCLIC AMP USING THE FRAGMENT MOLECULAR ORBITAL METHOD

Noriyuki Kurita, Hideo Sekino, Shigenori Tanaka, 2005 .

Modeling of peptide–silica interaction based on four-body corrected fragment molecular orbital (FMO4) calculations

Kaori Fukuzawa, Yuji Mochizuki, Takayuki Tsukamoto, 2013 .

Statistical physics of dense plasmas: Thermodynamics, transport coefficients and dynamic correlations

Hiroshi Iyetomi, Shigenori Tanaka, H. Iyetomi, 1987 .

Possibility of mutation prediction of influenza hemagglutinin by combination of hemadsorption experiment and quantum chemical calculation for antibody binding.

Kaori Fukuzawa, Yuji Mochizuki, Katsuhisa Nakajima, 2009, The journal of physical chemistry. B.

Yuto Komeiji, Kaori Fukuzawa, Yuji Mochizuki, 2014, Physical chemistry chemical physics : PCCP.

Characteristics of a Seismometer for the LUNAR-A Penetrator

Hitoshi Mizutani, Shigenori Tanaka, Akio Fujimura, 2005 .

Developments and applications of ABINIT-MP software based on the fragment molecular orbital method

Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka, 2006 .

Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson–Boltzmann equation

Shigenori Tanaka, Tatsuya Nakano, Yoshio Okiyama, 2010 .

Functionally relevant protein motions: extracting basin-specific collective coordinates from molecular dynamics trajectories.

Shigenori Tanaka, S. M. Rothstein, Russell J. Dickson, 2005, The Journal of chemical physics.

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

Takeshi Ishikawa, Minoru Sakurai, Kaori Fukuzawa, 2009, The journal of physical chemistry. B.

Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation

Kohei Shimamura, Aiichiro Nakano, Fuyuki Shimojo, 2016, Scientific Reports.

Three- and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug design.

Kaori Fukuzawa, Yuji Mochizuki, Akifumi Kato, 2013, Journal of molecular graphics & modelling.

Antigen–antibody interactions of influenza virus hemagglutinin revealed by the fragment molecular orbital calculation

Kaori Fukuzawa, Yuji Mochizuki, Katsuhisa Nakajima, 2011 .

DNA and estrogen receptor interaction revealed by fragment molecular orbital calculations.

Yuichi Inadomi, Lennart Nilsson, Umpei Nagashima, 2007, The journal of physical chemistry. B.

Study of the aggregation mechanism of polyglutamine peptides using replica exchange molecular dynamics simulations

Miki Nakano, Shigenori Tanaka, Kuniyoshi Ebina, 2013, Journal of Molecular Modeling.

Thermal Conductivity and Heat Capacity of Zircaloy-2, -4 and Unalloyed Zirconium

Yoichi Takahashi, Shigenori Tanaka, M. Murabayashi, 1975 .

Modern methods for theoretical physical chemistry of biopolymers

Shigenori Tanaka, James P. Lewis, E. Starikov, 2006 .

Fragment molecular orbital calculations on large scale systems containing heavy metal atom

Takeshi Ishikawa, Hiroaki Tokiwa, Hirotoshi Mori, 2006 .

Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach

Yuji Mochizuki, Shigenori Tanaka, Tatsuya Nakano, 2010 .