Detalles de la búsqueda
1.
Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome.
Int J Mol Sci
; 24(13)2023 Jun 22.
Artículo
Inglés
| MEDLINE | ID: mdl-37445688
2.
EMBER-Embedding Multiple Molecular Fingerprints for Virtual Screening.
Int J Mol Sci
; 23(4)2022 Feb 15.
Artículo
Inglés
| MEDLINE | ID: mdl-35216273
3.
A Computer-Based Methodology to Design Non-Standard Peptides Potentially Able to Prevent HOX-PBX1-Associated Cancer Diseases.
Int J Mol Sci
; 22(11)2021 May 26.
Artículo
Inglés
| MEDLINE | ID: mdl-34073517
4.
Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors.
Int J Mol Sci
; 22(14)2021 Jul 19.
Artículo
Inglés
| MEDLINE | ID: mdl-34299333
5.
Exploring Molecular Contacts of MUC1 at CIN85 Binding Interface to Address Future Drug Design Efforts.
Int J Mol Sci
; 22(4)2021 Feb 23.
Artículo
Inglés
| MEDLINE | ID: mdl-33672244
6.
Convolutional architectures for virtual screening.
BMC Bioinformatics
; 21(Suppl 8): 310, 2020 Sep 16.
Artículo
Inglés
| MEDLINE | ID: mdl-32938359
7.
3-(6-Phenylimidazo [2,1-b][1,3,4]thiadiazol-2-yl)-1H-Indole Derivatives as New Anticancer Agents in the Treatment of Pancreatic Ductal Adenocarcinoma.
Molecules
; 25(2)2020 Jan 14.
Artículo
Inglés
| MEDLINE | ID: mdl-31947550
8.
In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots.
Int J Mol Sci
; 20(20)2019 Oct 09.
Artículo
Inglés
| MEDLINE | ID: mdl-31600880
9.
2-methoxyestradiol impacts on amino acids-mediated metabolic reprogramming in osteosarcoma cells by its interaction with NMDA receptor.
J Cell Physiol
; 232(11): 3030-3049, 2017 Nov.
Artículo
Inglés
| MEDLINE | ID: mdl-28262924
10.
Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): molecular dynamics and fragmentation patterns in the gas phase.
Rapid Commun Mass Spectrom
; 31(13): 1158-1168, 2017 Jul 15.
Artículo
Inglés
| MEDLINE | ID: mdl-28444908
11.
Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.
J Chem Inf Model
; 57(2): 365-385, 2017 02 27.
Artículo
Inglés
| MEDLINE | ID: mdl-28072524
12.
Evaluating the stability of pharmacophore features using molecular dynamics simulations.
Biochem Biophys Res Commun
; 470(3): 685-689, 2016 Feb 12.
Artículo
Inglés
| MEDLINE | ID: mdl-26785387
13.
APDB: a database on air pollutant characterization and similarity prediction.
Database (Oxford)
; 20232023 07 14.
Artículo
Inglés
| MEDLINE | ID: mdl-37450416
14.
Resolving a guanine-quadruplex structure in the SARS-CoV-2 genome through circular dichroism and multiscale molecular modeling.
Chem Sci
; 14(41): 11332-11339, 2023 Oct 25.
Artículo
Inglés
| MEDLINE | ID: mdl-37886086
15.
In-silico guided chemical exploration of KDM4A fragments hits.
Clin Epigenetics
; 15(1): 197, 2023 12 21.
Artículo
Inglés
| MEDLINE | ID: mdl-38129913
16.
KUALA: a machine learning-driven framework for kinase inhibitors repositioning.
Sci Rep
; 12(1): 17877, 2022 10 25.
Artículo
Inglés
| MEDLINE | ID: mdl-36284125
17.
Galectin-9 and Interferon-Gamma Are Released by Natural Killer Cells upon Activation with Interferon-Alpha and Orchestrate the Suppression of Hepatitis C Virus Infection.
Viruses
; 14(7)2022 07 14.
Artículo
Inglés
| MEDLINE | ID: mdl-35891518
18.
A Rational Design of α-Helix-Shaped Peptides Employing the Hydrogen-Bond Surrogate Approach: A Modulation Strategy for Ras-RasGRF1 Interaction in Neuropsychiatric Disorders.
Pharmaceuticals (Basel)
; 14(11)2021 Oct 28.
Artículo
Inglés
| MEDLINE | ID: mdl-34832880
19.
SF3B1 modulators affect key genes in metastasis and drug influx: a new approach to fight pancreatic cancer chemoresistance.
Cancer Drug Resist
; 4(4): 904-922, 2021.
Artículo
Inglés
| MEDLINE | ID: mdl-35582381
20.
Dynamic-shared Pharmacophore Approach as Tool to Design New Allosteric PRC2 Inhibitors, Targeting EED Binding Pocket.
Mol Inform
; 40(2): e2000148, 2021 02.
Artículo
Inglés
| MEDLINE | ID: mdl-32833314