Specific Interactions of Protein-Protein Interaction between Human Programmed Death 1 (PD-1) and its Ligand 1 (PD-L1) with AB Initio Fragment Molecular Orbital Method

Protein Protein Interaction ◽

Programmed Death ◽

Programmed Death 1

A novel method for analysis of the electrostatic complementarity of protein-protein interaction based on fragment molecular orbital method

Chemical Physics Letters ◽

10.1016/j.cplett.2020.138103 ◽

2020 ◽

Vol 761 ◽

pp. 138103

Author(s):

Takeshi Ishikawa

Keyword(s):

Molecular Orbital ◽

Protein Interaction ◽

Orbital Method ◽

Protein Protein Interaction ◽

Novel Method

2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA) ◽

Specific interactions between M. tuberculosis CYP130 and its inhibitors: Molecular simulations using ab initio fragment molecular orbital method

10.1109/icaicta.2016.7803092 ◽

2016 ◽

Author(s):

Ryushi Kadoya ◽

Mitsuki Fujimori ◽

Ryosuke Takeda ◽

Tatsuro Mizushima ◽

Noriyuki Kurita ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Simulations ◽

Orbital Method ◽

Specific Interactions ◽

A novel method for visualizing the electrostatic complementarity of protein-protein interaction based on fragment molecular orbital method

10.22541/au.158872397.77591896 ◽

2020 ◽

Author(s):

Takeshi Ishikawa

Keyword(s):

Molecular Orbital ◽

Protein Interaction ◽

Orbital Method ◽

Protein Protein Interaction ◽

Novel Method

Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

The Journal of Physical Chemistry B ◽

10.1021/jp065705n ◽

2006 ◽

Vol 110 (47) ◽

pp. 24276-24276 ◽

Cited By ~ 10

Author(s):

Kaori Fukuzawa ◽

Yuji Mochizuki ◽

Shigenori Tanaka ◽

Kazuo Kitaura ◽

Tatsuya Nakano

Keyword(s):

Estrogen Receptor ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Interactions ◽

Orbital Method ◽

Ab Initio Biomolecular Calculations Using Quantum Monte Carlo Combined with the Fragment Molecular Orbital Method

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2007-0953.ch010 ◽

2006 ◽

pp. 141-146 ◽

Cited By ~ 2

Author(s):

Ryo Maezono ◽

Hirofumi Watanabe ◽

Shigenori Tanaka

Keyword(s):

Monte Carlo ◽

Ab Initio ◽

Molecular Orbital ◽

Quantum Monte Carlo ◽

Orbital Method ◽

Ab initio study of molecular interactions in higher plant and Galdieria partita Rubiscos with the fragment molecular orbital method

Biochemical and Biophysical Research Communications ◽

10.1016/j.bbrc.2007.07.004 ◽

2007 ◽

Vol 361 (2) ◽

pp. 367-372 ◽

Cited By ~ 7

Author(s):

Hirofumi Watanabe ◽

Taira Enomoto ◽

Shigenori Tanaka

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Interactions ◽

Orbital Method ◽

Ab Initio Study ◽

Higher Plant ◽

2P140 Protein-Inhibitor Binding Enthalpy Calculation with ab initio Fragment Molecular Orbital Method(The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s107_1 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S107

Author(s):

Hiroh Miyagawa ◽

Mayumi Endo

Keyword(s):

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Orbital Method ◽

Protein Inhibitor ◽

Inhibitor Binding ◽

Biophysical Society ◽

Binding Enthalpy

2E1558 Protein specific partial charges by Ab-initio fragment molecular orbital method for more accurate protein simulations(Proteins:Property II,Oral Presentation,The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.52.s47_2 ◽

2012 ◽

Vol 52 (supplement) ◽

pp. S47

Author(s):

Le Chang ◽

Shoji Takada

Keyword(s):

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Oral Presentation ◽

Orbital Method ◽

Partial Charges ◽

Biophysical Society

Abstract: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS

2012 SC Companion: High Performance Computing, Networking Storage and Analysis ◽

10.1109/sc.companion.2012.170 ◽

2012 ◽

Author(s):

Maricris L. Mayes ◽

Graham D. Fletcher ◽

Mark S. Gordon

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Orbital ◽

Large Scale ◽

Orbital Method ◽

Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

The Journal of Physical Chemistry B ◽

10.1021/jp060770i ◽

2006 ◽

Vol 110 (32) ◽

pp. 16102-16110 ◽

Cited By ~ 83

Author(s):

Kaori Fukuzawa ◽

Yuji Mochizuki ◽

Shigenori Tanaka ◽

Kazuo Kitaura ◽

Tatsuya Nakano

Keyword(s):

Estrogen Receptor ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Interactions ◽

Orbital Method ◽