Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methods

P Gasparini, EA Philot, SQ Pantaleão… - Journal of Molecular …, 2023 - Elsevier
The main protease of SARS-CoV-2 (called M pro or 3CL pro) is essential for processing
polyproteins encoded by viral RNA. Several M pro mutations were found in SARS-CoV-2 …

Unveiling Mutation Effects on the Structural Dynamics of the Main Protease from SARS-CoV-2 with Hybrid Simulation Methods

EA Philot, P Gasparini, AJ Magro, JC Mattos… - BioRxiv, 2021 - biorxiv.org
The main protease of SARS-CoV-2 (called Mpro or 3CLpro) is essential for processing
polyproteins encoded by viral RNA. Macromolecules adopt several favored conformations in …

Computational design and directed evolution strategies for optimizing protein stability

R Qingyun, X HUANG, M Zijun… - Synthetic Biology Journal, 2023 - synbioj.cip.com.cn
Most natural proteins tend to be marginally stable, which allows them to gain flexibility for
biological functions. However, marginal stability is often associated with protein misfolding …

Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments

VG Contessoto, VM de Oliveira, VBP Leite - Protein Folding: Methods and …, 2022 - Springer
Computational coarse-grained models play a fundamental role as a research tool in protein
folding, and they are important in bridging theory and experiments. Folding mechanisms are …

Germline mutations of p53 tumor gene linked to Li-Fraumeni syndrome (LFS) are associated with an increased risk of cancer

Z Abduljaleel - 2022 - researchsquare.com
Choroid plexus carcinomas (CPCs) are rare pediatric tumors often associated with Li-
Fraumeni Syndrome (LFS). In LFS, TP53 mutations are involved. A germline mutation in the …

Pivot-SAXS: desenvolvimento de uma nova metodologia para caracterização estrutural e conformacional de macromoléculas combinando SAXS e simulações …

CTA Ferreira - 2023 - repositorio.unesp.br
A comunidade científica já se utiliza da combinação de técnicas experimentais e
computacionais em suas investigações, especialmente para sistemas biológicos complexos …

Improving the thermostability of a GH97 dextran glucosidase by rational design

X Zhang, F Chen, C He, W Fang, Z Fang, X Zhang… - Biotechnology …, 2020 - Springer
This study was aimed at improving the thermostability of dextran glucosidase PspAG97A, a
member of the glycoside hydrolase family 97, from Pseudoalteromonas sp. K8. A total of 9 …

A influência da eletrostática na estabilidade de proteínas cold shock homólogas

PHB Ferreira - 2020 - bdtd.uftm.edu.br
Nas últimas décadas, as proteínas têm sido alvo de grande interesse industrial. As funções
que tais moléculas desempenham têm demonstrado utilidade nas mais variadas áreas …

[引用][C] Software Tools for Optimization of Biocatalysts

J Vilim, Z Prokop, J Damborsky - 2024 - Elsevier