Molecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulations
ABSTRACT SARS-CoV-2 PLpro was investigated as a therapeutic target for potent antiviral
drugs due to its essential role in not only viral replication but also in regulating the inborn …
drugs due to its essential role in not only viral replication but also in regulating the inborn …
Molecular modelling on multiepitope-based vaccine against SARS-CoV-2 using immunoinformatics, molecular docking, and molecular dynamics simulation
The pandemic of COVID-19 caused by SARS-CoV-2 has made a worldwide health
emergency. Despite the fact that current vaccines are readily available, several SARSCoV-2 …
emergency. Despite the fact that current vaccines are readily available, several SARSCoV-2 …
Investigation of Active Compounds of Brucea Javanica In Treating Hypertension Using A Network Pharmacology‐Based Analysis Combined with Homology Modeling …
Hypertension is a disease that can increase the risk of stroke, cardiovascular, and heart
failure. In this letter, we investigated the potency of active compounds of Brucea javanica …
failure. In this letter, we investigated the potency of active compounds of Brucea javanica …
Theoretical study of conformational transition of CDK4 by association of cyclin D3
K Kawaguchi, MS Arwansyah, T Kataoka… - Molecular …, 2019 - Taylor & Francis
We present coarse-grained simulations to investigate folding and association of cyclin-
dependent kinase 4 (CDK4) with cyclin D3. In our simulations, the Gō-like model and our …
dependent kinase 4 (CDK4) with cyclin D3. In our simulations, the Gō-like model and our …
[PDF][PDF] Molecular dynamics study of free energy profile for dissociation of ligand from CA I active site
川口一朋， 長尾秀実 - 2019 - kanazawa-u.repo.nii.ac.jp
We investigate the binding/dissociation process of ligand molecule from carbonic anhydrase
(CA) I carbonic anhydrase (CA) I enzyme by using all-atom molecular dynamics simulation …
(CA) I carbonic anhydrase (CA) I enzyme by using all-atom molecular dynamics simulation …
The function of intrinsically disordered region of actin binding protein coronin1 in budding yeast
X Han - 2021 - dr.ntu.edu.sg
Actin polymerization to filamentous network provides structural basis for multiple biological
activities, such as endocytosis, cell migration and intracellular transportation. The diversity of …
activities, such as endocytosis, cell migration and intracellular transportation. The diversity of …
[PDF][PDF] Theoretical studies on association/dissociation process of protein complex related to protein-protein and ligand-receptor interactions
ムハマドサレ,アルワンシャ - 2020 - researchgate.net
In higher vertebrates including human, 14 different CA isozymes are found in several
subcellular localizations such as CAI-III and CA VII found in cytosols, CA IV, CA IX, CA XII …
subcellular localizations such as CAI-III and CA VII found in cytosols, CA IV, CA IX, CA XII …
[PDF][PDF] Tar Quantification and Classification Based on Gasification Operating Condition of Downdraft Gasifier System Using Wood Pellet Feedstock
リズキ,フィトリナリヤント - 2020 - kanazawa-u.repo.nii.ac.jp
Biomass gasification is a promising technology for improving the global green energy
system. During, biomass gasification, tar formation generates a serious problem, creating …
system. During, biomass gasification, tar formation generates a serious problem, creating …
タンパク質複合体の会合・解離ダイナミクスと中間体構造予測
川口一朋， 長尾秀実 - 日本物理学会誌, 2023 - jstage.jst.go.jp
抄録 タンパク質は生物機能の中心を担っており, 他の分子 (低分子や他のタンパク質, 脂質,
核酸等) との複合体形成は, 様々な生物機能に直結する. 例えば, ウイルスカプシド (殻) …
核酸等) との複合体形成は, 様々な生物機能に直結する. 例えば, ウイルスカプシド (殻) …
[HTML][HTML] アミノ酸間相互作用ポテンシャルの類似度と分子構造の類似度の相関の解析
寺島千絵子， 谷田義明， 眞鍋敏夫… - Journal of Computer …, 2021 - jstage.jst.go.jp
For middle molecule drug discovery, a coarse-grained model in which amino acid residues
were treated with an amino acid pair interaction was investigated. To treat both natural and …
were treated with an amino acid pair interaction was investigated. To treat both natural and …