Detalhe da pesquisa
1.
B-cell lymphoma-2 family proteins in the crosshairs: Small molecule inhibitors and activators for cancer therapy.
Med Res Rev
; 44(2): 707-737, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37983840
2.
PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.
J Chem Inf Model
; 64(7): 2205-2220, 2024 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37319418
3.
Mechanistic basis for receptor-mediated pathological α-synuclein fibril cell-to-cell transmission in Parkinson's disease.
Proc Natl Acad Sci U S A
; 118(26)2021 06 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34172566
4.
HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials.
J Chem Inf Model
; 63(15): 4749-4761, 2023 08 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37433022
5.
Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations.
J Chem Inf Model
; 62(21): 5208-5222, 2022 11 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34047559
6.
Analysis of the Clinical Efficacy of Conservative Treatment for an Unruptured Cornual Pregnancy.
Altern Ther Health Med
; 28(6): 118-123, 2022 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-35687706
7.
Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc Natl Acad Sci U S A
; 115(25): E5669-E5678, 2018 06 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-29866835
8.
Synthesis of (1,3,4-thiadiazol-2-yl)-acrylamide derivatives as potential antitumor agents against acute leukemia cells.
Bioorg Med Chem Lett
; 30(10): 127114, 2020 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32209294
9.
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation.
J Chem Inf Model
; 60(9): 4359-4375, 2020 09 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32401510
10.
Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?
J Chem Inf Model
; 60(3): 1122-1136, 2020 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32085675
11.
Fragment-Based Computational Method for Designing GPCR Ligands.
J Chem Inf Model
; 60(9): 4339-4349, 2020 09 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31652060
12.
AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses.
Nucleic Acids Res
; 46(W1): W451-W458, 2018 07 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29757429
13.
Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size.
J Chem Inf Model
; 59(11): 4602-4612, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31603333
14.
Comparative Assessment of Scoring Functions: The CASF-2016 Update.
J Chem Inf Model
; 59(2): 895-913, 2019 02 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-30481020
15.
TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.
J Comput Chem
; 39(20): 1444-1454, 2018 07 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-29633287
16.
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Acc Chem Res
; 50(2): 302-309, 2017 02 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28182403
17.
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
BMC Bioinformatics
; 18(1): 343, 2017 Jul 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28720122
18.
Alloscore: a method for predicting allosteric ligand-protein interactions.
Bioinformatics
; 32(10): 1574-6, 2016 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26803160
19.
Overexpression of microRNA-194 suppresses the epithelial-mesenchymal transition in targeting stem cell transcription factor Sox3 in endometrial carcinoma stem cells.
Tumour Biol
; 39(6): 1010428317706217, 2017 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-28618953
20.
Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength.
J Chem Inf Model
; 57(7): 1535-1547, 2017 07 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28570819