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/vufind/Search/Results?lookfor=%22Okiyama%2C+Yoshio%22&type=Person&sort=year
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PubPharm (45)
1
In Silico Search for Drug Candidates Targeting the PAX8–PPARγ Fusion Protein in Thyroid Cancer
enthalten in:
Preprints.org
| 2024
von
Sakaguchi, K.
|
Okiyama, Y.
|
Tanaka, S.
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2
FMOe: Preprocessing and visualizing package of the fragment molecular orbital method for Molecular Operating Environment and its applications in covalent ligand and metalloprotein analyses
enthalten in:
chemRxiv.org
| 2024
von
Moriwaki, H.
|
Kawashima, Y.
|
Watanabe, C.
| +4
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3
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit
enthalten in:
The journal of physical chemistry letters
| 2023
von
Watanabe, C.
|
Tanaka, S.
|
Okiyama, Y.
| +6
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4
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir (Xocova) Compared with Its Initial Screening Hit
enthalten in:
chemRxiv.org
| 2022
von
Watanabe, C.
|
Tanaka, S.
|
Okiyama, Y.
| +6
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5
The position of the nitro group affects the mutagenicity of nitroarenes
enthalten in:
Toxicology and applied pharmacology
| 2022
von
Ohno, A.
|
Okiyama, Y.
|
Hirose, A.
| +1
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6
Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses
enthalten in:
chemRxiv.org
| 2021
von
Watanabe, C.
|
Okiyama, Y.
|
Tanaka, S.
| +2
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7
Dynamical Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method
enthalten in:
chemRxiv.org
| 2021
von
Tanaka, S.
|
Tokutomi, S.
|
Hatada,, R.
| +6
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8
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID:6LU7)
enthalten in:
chemRxiv.org
| 2021
von
Hatada, R.
|
Okuwaki, K.
|
Mochizuki, Y.
| +4
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9
Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method
enthalten in:
The journal of physical chemistry. B
| 2021
von
Tanaka, S.
|
Tokutomi, S.
|
Hatada, R.
| +6
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10
In silico modeling of PAX8-PPARγ fusion protein in thyroid carcinoma : influence of structural perturbation by fusion on ligand-binding affinity
enthalten in:
Journal of computer-aided molecular design
| 2021
von
Sakaguchi, K.
|
Okiyama, Y.
|
Tanaka, S.
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5
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Thema
17
Journal Article
12
Research Support, Non-U.S. Gov't
6
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5
540
5
Chemistry
4
Follicular thyroid neoplasia
4
MM-PBSA
4
Molecular dynamics simulation
4
Molecular modeling
4
PAX8–PPARγ fusion protein
4
Protein–ligand binding
3
CC
3
DGEMM
3
FMO
3
Fragment molecular orbital
3
MPI
3
OpenMP
3
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3
coupled cluster
3
parallelization
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Erscheinungszeitraum
17
2020-
26
2010-2019
2
2000-2009
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31
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