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1.
Pharmacoinformatics approach based identification of potential Nsp15 endoribonuclease modulators for SARS-CoV-2 inhibition.
Arch Biochem Biophys
; 700: 108771, 2021 03 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-33485847
2.
Identification of novel hit molecules targeting M. tuberculosis polyketide synthase 13 by combining generative AI and physics-based methods.
Comput Biol Med
; 176: 108573, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38723396
3.
Machine learning assisted methods for the identification of low toxicity inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA).
Comput Biol Chem
; 110: 108034, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38430612
4.
Identification of Mycobacterium tuberculosis transcriptional repressor EthR inhibitors: Shape-based search and machine learning studies.
Heliyon
; 10(5): e26802, 2024 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-38434349
5.
Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation study.
J Biomol Struct Dyn
; : 1-21, 2023 Jul 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37482789
6.
Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations.
Comput Biol Med
; 145: 105474, 2022 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-35395517
7.
Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors.
Biophys Chem
; 270: 106537, 2021 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33450550
8.
An analysis of non-cultivable bacteria using WEKA.
Bioinformation
; 16(8): 620-624, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33214750
9.
De novo design based identification of potential HIV-1 integrase inhibitors: A pharmacoinformatics study.
Comput Biol Chem
; 88: 107319, 2020 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-32801062
10.
Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies.
J Biomol Struct Dyn
; 38(13): 4005-4015, 2020 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-31516071
11.
Pharmacoinformatics-based identification of anti-bacterial catalase-peroxidase enzyme inhibitors.
Comput Biol Chem
; 83: 107136, 2019 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-31630014
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