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July 20, 2007
Protein-inhibitor flexible docking by a multicanonical sampling: native complex structure with the lowest free energy and a free-energy barrier distinguishing the native complex from the others
Narutoshi Kamiya, Yasushige Yonezawa, Haruki Nakamura, et al.
Plos One
|
October 15, 2013
Molecular dynamics simulations of double-stranded DNA in an explicit solvent model with the zero-dipole summation method
Takamasa Arakawa, Narutoshi Kamiya, Haruki Nakamura, et al.
The Journal of Chemical Physics
|
August 17, 2012
Simple and accurate scheme to compute electrostatic interaction: zero-dipole summation technique for molecular system and application to bulk water
Ikuo Fukuda, Narutoshi Kamiya, Yasushige Yonezawa, et al.
Proteins
|
November 24, 2004
Rational discovery of a novel interface for a coactivator in the peroxisome proliferator-activated receptor gamma: theoretical implications of impairment in type 2 diabetes mellitus
Takuma Shiraki, Takashi S Kodama, Hisato Jingami, et al.
Scientific Reports
|
January 31, 2020
Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
The Journal of Physical Chemistry. B
|
April 19, 2007
Folding of the 25 residue Abeta(12-36) peptide in TFE/water: temperature-dependent transition from a funneled free-energy landscape to a rugged one
Narutoshi Kamiya, Daisuke Mitomo, Joan-Emma Shea, et al.
ACS Omega
|
January 29, 2024
Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Journal of Chemical Theory and Computation
|
October 22, 2025
Assessment of RNA Force Fields for Dynamic Docking of Small Molecules Using Multicanonical MD Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 28, 2002
Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+
Daisuke Tsuchiya, Naoki Kunishima, Narutoshi Kamiya, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Free Energy Landscapes of Alanine Dipeptide in Explicit Water Reproduced by the Force-Switching Wolf Method
Yasushige Yonezawa, Ikuo Fukuda, Narutoshi Kamiya, et al.
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Search research articles
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Showing results (11-20 of 62) with videos related to
Sort By:
Page
of 7
Proteins
|
July 20, 2007
Protein-inhibitor flexible docking by a multicanonical sampling: native complex structure with the lowest free energy and a free-energy barrier distinguishing the native complex from the others
Narutoshi Kamiya, Yasushige Yonezawa, Haruki Nakamura, et al.
Plos One
|
October 15, 2013
Molecular dynamics simulations of double-stranded DNA in an explicit solvent model with the zero-dipole summation method
Takamasa Arakawa, Narutoshi Kamiya, Haruki Nakamura, et al.
The Journal of Chemical Physics
|
August 17, 2012
Simple and accurate scheme to compute electrostatic interaction: zero-dipole summation technique for molecular system and application to bulk water
Ikuo Fukuda, Narutoshi Kamiya, Yasushige Yonezawa, et al.
Proteins
|
November 24, 2004
Rational discovery of a novel interface for a coactivator in the peroxisome proliferator-activated receptor gamma: theoretical implications of impairment in type 2 diabetes mellitus
Takuma Shiraki, Takashi S Kodama, Hisato Jingami, et al.
Scientific Reports
|
January 31, 2020
Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations
Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, et al.
The Journal of Physical Chemistry. B
|
April 19, 2007
Folding of the 25 residue Abeta(12-36) peptide in TFE/water: temperature-dependent transition from a funneled free-energy landscape to a rugged one
Narutoshi Kamiya, Daisuke Mitomo, Joan-Emma Shea, et al.
ACS Omega
|
January 29, 2024
Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Journal of Chemical Theory and Computation
|
October 22, 2025
Assessment of RNA Force Fields for Dynamic Docking of Small Molecules Using Multicanonical MD Simulations
Gert-Jan Bekker, Yoshifumi Fukunishi, Junichi Higo, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 28, 2002
Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+
Daisuke Tsuchiya, Naoki Kunishima, Narutoshi Kamiya, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Free Energy Landscapes of Alanine Dipeptide in Explicit Water Reproduced by the Force-Switching Wolf Method
Yasushige Yonezawa, Ikuo Fukuda, Narutoshi Kamiya, et al.
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of 7