Detalhe da pesquisa
1.
The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol Cell
; 73(4): 738-748.e9, 2019 02 21.
Artigo
Inglês
| MEDLINE | ID: mdl-30595437
2.
Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O-Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
J Chem Inf Model
; 63(14): 4468-4476, 2023 07 24.
Artigo
Inglês
| MEDLINE | ID: mdl-37436881
3.
Promoting Activity of Terpenes on Skin Permeation of Famotidine.
Chem Pharm Bull (Tokyo)
; 71(2): 111-119, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36724975
4.
Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
BMC Biol
; 20(1): 43, 2022 02 17.
Artigo
Inglês
| MEDLINE | ID: mdl-35172816
5.
Characterization of co-amorphous carvedilol-maleic acid system prepared by solvent evaporation.
Pharm Dev Technol
; 28(3-4): 309-317, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36946594
6.
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy.
J Comput Chem
; 43(20): 1362-1371, 2022 07 30.
Artigo
Inglês
| MEDLINE | ID: mdl-35678372
7.
Sulfated Hyaluronan Binds to Heparanase and Blocks Its Enzymatic and Cellular Actions in Carcinoma Cells.
Int J Mol Sci
; 23(9)2022 May 02.
Artigo
Inglês
| MEDLINE | ID: mdl-35563446
8.
An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J Biol Chem
; 295(20): 7154-7167, 2020 05 15.
Artigo
Inglês
| MEDLINE | ID: mdl-32241910
9.
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins.
J Chem Inf Model
; 61(9): 4594-4612, 2021 09 27.
Artigo
Inglês
| MEDLINE | ID: mdl-34506132
10.
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
J Chem Inf Model
; 61(2): 777-794, 2021 02 22.
Artigo
Inglês
| MEDLINE | ID: mdl-33511845
11.
Manufacturability and Properties of Granules and Tablets Using the Eco-Friendly Granulation Method Green Fluidized Bed Granulation Compared to Direct Compression.
Chem Pharm Bull (Tokyo)
; 69(5): 447-455, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-33952855
12.
Altered Media Flow and Tablet Position as Factors of How Air Bubbles Affect Dissolution of Disintegrating and Non-disintegrating Tablets Using a USP 4 Flow-Through Cell Apparatus.
AAPS PharmSciTech
; 22(7): 227, 2021 Aug 24.
Artigo
Inglês
| MEDLINE | ID: mdl-34431011
13.
Fragmentation at sp2 carbon atoms in fragment molecular orbital method.
J Comput Chem
; 41(15): 1416-1420, 2020 Jun 05.
Artigo
Inglês
| MEDLINE | ID: mdl-32196699
14.
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).
J Chem Inf Model
; 60(7): 3593-3602, 2020 07 27.
Artigo
Inglês
| MEDLINE | ID: mdl-32539372
15.
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.
J Chem Inf Model
; 60(7): 3361-3368, 2020 07 27.
Artigo
Inglês
| MEDLINE | ID: mdl-32496771
16.
Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations.
J Chem Inf Model
; 59(1): 25-30, 2019 01 28.
Artigo
Inglês
| MEDLINE | ID: mdl-30517784
17.
Effect of sulfobutyl ether-ß-cyclodextrin and propylene glycol alginate on the solubility of clozapine.
Pharm Dev Technol
; 24(4): 479-486, 2019 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-30126299
18.
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach.
J Chem Inf Model
; 57(12): 2996-3010, 2017 12 26.
Artigo
Inglês
| MEDLINE | ID: mdl-29111719
19.
Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.
Phys Chem Chem Phys
; 16(22): 10310-44, 2014 Jun 14.
Artigo
Inglês
| MEDLINE | ID: mdl-24740821
20.
The Development and Characterization of Novel Ionic Liquids Based on Mono- and Dicarboxylates with Meglumine for Drug Solubilizers and Skin Permeation Enhancers.
Pharmaceutics
; 16(3)2024 Feb 26.
Artigo
Inglês
| MEDLINE | ID: mdl-38543216