Detalles de la búsqueda
1.
Structural Impact Assessment of Cytochrome P450 2A13 Polymorphisms Using Molecular Dynamics Simulations.
Biol Pharm Bull
; 47(3): 620-628, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38479886
2.
Computational Estimation of Residues Involving Resistance to the SARS-CoV-2 Main Protease Inhibitor Ensitrelvir Based on Virtual Alanine Scan of the Active Site.
Biol Pharm Bull
; 47(5): 967-977, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38763751
3.
Identification of the Most Impactful Asparagine Residues for γS-Crystallin Aggregation by Deamidation.
Biochemistry
; 62(11): 1679-1688, 2023 06 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-37155656
4.
Functional Characterization of 12 Dihydropyrimidinase Allelic Variants in Japanese Individuals for the Prediction of 5-Fluorouracil Treatment-Related Toxicity.
Drug Metab Dispos
; 51(2): 165-173, 2023 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-36414408
5.
Functional Characterization of 29 Cytochrome P450 4F2 Variants Identified in a Population of 8380 Japanese Subjects and Assessment of Arachidonic Acid ω-Hydroxylation.
Drug Metab Dispos
; 51(12): 1561-1568, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-37775333
6.
Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations.
Int J Mol Sci
; 23(24)2022 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-36555561
7.
Functional Characterization of 40 CYP3A4 Variants by Assessing Midazolam 1'-Hydroxylation and Testosterone 6ß-Hydroxylation.
Drug Metab Dispos
; 49(3): 212-220, 2021 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33384383
8.
(S)-Erypoegin K, an isoflavone isolated from Erythrina poeppigiana, is a novel inhibitor of topoisomerase IIα: Induction of G2 phase arrest in human gastric cancer cells.
Bioorg Med Chem
; 30: 115904, 2021 01 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33341500
9.
Theoretical Studies on the Effect of Isomerized Aspartic Acid Residues on the Three-Dimensional Structures of Bovine Pancreatic Ribonucleases A.
Biol Pharm Bull
; 44(7): 967-975, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34193692
10.
Virtual Alanine Scan of the Main Protease Active Site in Severe Acute Respiratory Syndrome Coronavirus 2.
Int J Mol Sci
; 22(18)2021 Sep 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34576002
11.
Molecular Mechanisms of Succinimide Formation from Aspartic Acid Residues Catalyzed by Two Water Molecules in the Aqueous Phase.
Int J Mol Sci
; 22(2)2021 Jan 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33419172
12.
Deciphering Structural Alterations Associated with Activity Reductions of Genetic Polymorphisms in Cytochrome P450 2A6 Using Molecular Dynamics Simulations.
Int J Mol Sci
; 22(18)2021 Sep 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34576282
13.
Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation.
Biol Pharm Bull
; 43(12): 1931-1939, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33268711
14.
Mechanisms of Deamidation of Asparagine Residues and Effects of Main-Chain Conformation on Activation Energy.
Int J Mol Sci
; 21(19)2020 Sep 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-32987875
15.
Computational Studies on Water-Catalyzed Mechanisms for Stereoinversion of Glutarimide Intermediates Formed from Glutamic Acid Residues in Aqueous Phase.
Int J Mol Sci
; 20(10)2019 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-31096657
16.
Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues.
Biochim Biophys Acta Proteins Proteom
; 1866(7): 783-788, 2018 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-29331333
17.
Comparison of the activation energy barrier for succinimide formation from α- and ß-aspartic acid residues obtained from density functional theory calculations.
Biochim Biophys Acta Proteins Proteom
; 1866(7): 759-766, 2018 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-29305913
18.
Computational studies on the water-catalyzed stereoinversion mechanism of glutamic acid residues in peptides and proteins.
Chirality
; 30(5): 527-535, 2018 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-29528512
19.
Validation of molecular force field parameters for peptides including isomerized amino acids.
Chirality
; 30(4): 332-341, 2018 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-29393985
20.
Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins.
Molecules
; 22(10)2017 Oct 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-29023395