Detalles de la búsqueda
1.
CCL-DTI: contributing the contrastive loss in drug-target interaction prediction.
BMC Bioinformatics
; 25(1): 48, 2024 Jan 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-38291364
2.
A comparative analysis of computational drug repurposing approaches: proposing a novel tensor-matrix-tensor factorization method.
Mol Divers
; 2024 Apr 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-38683487
3.
DRaW: prediction of COVID-19 antivirals by deep learning-an objection on using matrix factorization.
BMC Bioinformatics
; 24(1): 52, 2023 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36793010
4.
Proteochemometrics modeling for prediction of the interactions between caspase isoforms and their inhibitors.
Mol Divers
; 27(1): 249-261, 2023 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-35438428
5.
Matrix factorization with denoising autoencoders for prediction of drug-target interactions.
Mol Divers
; 27(3): 1333-1343, 2023 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-35871213
6.
Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies.
J Mol Liq
; 375: 121345, 2023 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36747970
7.
Moonlighting protein prediction using physico-chemical and evolutional properties via machine learning methods.
BMC Bioinformatics
; 22(1): 261, 2021 May 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-34030624
8.
AutoDTI++: deep unsupervised learning for DTI prediction by autoencoders.
BMC Bioinformatics
; 22(1): 204, 2021 Apr 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-33879050
9.
Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies.
Mol Divers
; 25(1): 263-277, 2021 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-32140890
10.
A simple and robust model to predict the inhibitory activity of α-glucosidase inhibitors through combined QSAR modeling and molecular docking techniques.
Mol Divers
; 25(3): 1811-1825, 2021 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-33565001
11.
Correction to: Moonlighting protein prediction using physicochemical and evolutional properties via machine learning methods.
BMC Bioinformatics
; 22(1): 366, 2021 Jul 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34243708
12.
QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors.
J Theor Biol
; 369: 13-22, 2015 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-25600056
13.
A Molecular Generative Model of COVID-19 Main Protease Inhibitors Using Long Short-Term Memory-Based Recurrent Neural Network.
J Comput Biol
; 31(1): 83-98, 2024 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-38054946
14.
Evaluation of antibacterial, cytotoxicity, and apoptosis activity of novel chromene-sulfonamide hybrids synthesized under solvent-free conditions and 3D-QSAR modeling studies.
Sci Rep
; 14(1): 12878, 2024 06 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38834651
15.
Identification of new potent agonists for toll-like receptor 8 by virtual screening methods, molecular dynamics simulation, and MM-GBSA.
J Biomol Struct Dyn
; 41(19): 10026-10036, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36469705
16.
In silico studies of anti-oxidative and hot temperament-based phytochemicals as natural inhibitors of SARS-CoV-2 Mpro.
PLoS One
; 18(11): e0295014, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-38033024
17.
Biomolecular interactions and binding dynamics of inhibitor arachidonic acid, with tyrosinase enzyme.
J Biomol Struct Dyn
; 41(4): 1378-1387, 2023 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-34974821
18.
New insights into the inhibitory effect of phenol carboxylic acid antioxidants on mushroom tyrosinase by molecular dynamic studies and experimental assessment.
J Biomol Struct Dyn
; 41(22): 13404-13414, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36856125
19.
Virtual screening reveals aprepitant to be a potent inhibitor of neutral sphingomyelinase 2: implications in blockade of exosome release in cancer therapy.
J Cancer Res Clin Oncol
; 149(10): 7207-7216, 2023 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-36884117
20.
DEDTI versus IEDTI: efficient and predictive models of drug-target interactions.
Sci Rep
; 13(1): 9238, 2023 06 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-37286613