by Alejandro Speck Planche | Jun 16, 2023 | Others
De Novo Computational Design of Compounds Virtually Displaying Potent Antibacterial Activity and Desirable In Vitro ADMET Profiles In this work, we introduce the first multitasking model for quantitative structure-biological effect relationships focused on the...
by Alejandro Speck Planche | Jan 16, 2023 | Others
Background: Alzheimer’s disease is characterized by a progressive pattern of cognitive and functional impairment, which ultimately leads to death. Computational approaches have played an important role in the context of drug discovery for anti-Alzheimer’s...
by Alejandro Speck Planche | Jan 16, 2023 | Peptide discovery
Antimicrobial peptides (AMPs) represent promising alternatives to fight against bacterial pathogens. However, cellular toxicity remains one of the main concerns in the early development of peptide-based drugs. This work introduces the first multitasking (mtk)...
by Alejandro Speck Planche | Jan 16, 2023 | Peptide discovery
Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives to fight against the diverse infections caused by different pathogenic microorganisms. In this context, theoretical approaches in bioinformatics have paved the way toward the creation of...
by Alejandro Speck Planche | Jan 16, 2023 | Peptide discovery
Here we propose a novel computational methodology for the virtual design and screening of peptides with potential anticancer activity against different cancer cell lines, and low cytotoxicity against diverse healthy mammalian cells. In this context, a multitasking...
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