Detalhe da pesquisa
1.
Identification of cap-dependent endonuclease inhibitors with broad-spectrum activity against bunyaviruses.
Proc Natl Acad Sci U S A
; 119(36): e2206104119, 2022 09 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36037386
2.
Cosolvent-Based Molecular Dynamics for Ensemble Docking: Practical Method for Generating Druggable Protein Conformations.
J Chem Inf Model
; 57(4): 742-756, 2017 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28388074
3.
AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.
Molecules
; 21(11)2016 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-27886114
4.
Protein-ligand docking using fitness learning-based artificial bee colony with proximity stimuli.
Phys Chem Chem Phys
; 17(25): 16412-7, 2015 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26050878
5.
A Quantum Mechanics-Based Method to Predict Intramolecular Hydrogen Bond Formation Reflecting P-glycoprotein Recognition.
ACS Med Chem Lett
; 14(2): 223-228, 2023 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36793434
6.
Optimization of Cyclic Peptide Property Using Chromatographic Capacity Factor on Permeability of Passive Cell Membrane and Human Induced Pluripotent Stem Cell-Derived Intestinal Membrane.
J Pharm Sci
; 111(7): 1879-1886, 2022 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35385719
7.
Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J Med Chem
; 65(15): 10655-10673, 2022 08 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35904556
8.
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J Med Chem
; 65(9): 6499-6512, 2022 05 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35352927
9.
Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
ACS Med Chem Lett
; 12(7): 1093-1101, 2021 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34267879
10.
Role of ARHGAP24 in ADP Ribosylation Factor 6 (ARF6)-dependent Pseudopod Formation in Human Breast Carcinoma Cells.
Anticancer Res
; 37(9): 4837-4844, 2017 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28870903