Tag: I-TASSER

When will RNA get its AlphaFold moment? | Nucleic Acids Research

Abstract The protein structure prediction problem has been solved for many types of proteins by AlphaFold. Recently, there has been considerable excitement to build off the success of AlphaFold and predict the 3D structures of RNAs. RNA prediction methods use a variety of techniques, from physics-based to machine learning approaches….

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Molecular modelling and site-directed mutagenesis provide insight into saccharide pyruvylation by the Paenibacillus alvei CsaB enzyme

Modelling of CsaB The CsaB enzyme (Uniprot K4ZGN3; 396 amino acids) was homology-modeled by use of Phyre2 and I-Tasser as well as by AlphaFold. The first two of these programs based their modeling approach onto the only so far crystallized pyruvyltransferase, Pvg1p (pdb 5ax77), which shows a low sequence identity…

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Amphioxus adenosine-to-inosine tRNA-editing enzyme that can perform C-to-U and A-to-I deamination of DNA

Animals and cells Adult amphioxus B. japonicum collected from the sandy bottom of the sea near Qingdao, China, were cultured in aerated seawater at room temperature and fed with single-celled algae once a day. Zebrafish (D. rerio) aged 3 months and adult Japanese scallops (M. yessoensis) were purchased from Nanshan…

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Generative AI applications in Health and Life Sciences and available Open Source AI tools. | by NEERAJ SHRIVASTAVA | Jul, 2023

Generative AI refers to a type of artificial intelligence that is capable of creating new content or data autonomously, often by mimicking or learning from existing data. Generative models are trained on large datasets and learn to understand patterns, structures, and relationships within the data. Once trained, these models can…

Continue Reading Generative AI applications in Health and Life Sciences and available Open Source AI tools. | by NEERAJ SHRIVASTAVA | Jul, 2023

The Advantages and Challenges of AlphaFold 2 | DNASTAR

Why is this guide focusing on AlphaFold 2, an algorithm that has only competed in and won a single CASP experiment? After all, I-TASSER — called Zhang or Yang-Server in the CASP events — has won more than any other algorithm. While I-TASSER has many merits and forms the basis…

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Using NovaFold AI to Streamline Structure Prediction with AlphaFold 2 | DNASTAR

NovaFold AI prediction software from DNASTAR is designed to streamline the entire AlphaFold 2 workflow, with no need to buy a specialized computer. In addition, both the prediction setup and downstream analysis take only a few minutes of hands-on time. Before showing the simple step-by-step workflow, we want to explain…

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Chloroquine resistance evolution in Plasmodium falciparum is mediated by the putative amino acid transporter AAT1

Ethics approval and consent to participate The study was performed in accordance with the Guide for the Care and Use of Laboratory Animals of the US National Institutes of Health (NIH). The Seattle Children’s Research Institute (SCRI) has an Assurance from the Public Health Service through the Office of Laboratory…

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difficulties in using HADDOCK 2.4 for protein-ligand docking

Hi guys, I want to make a protein-ligand docking from a PREDICTED protein structure (HSD17B2, calidris pugnax) (AlphaFold and D-I-TASSER) and I decided to use HADDOCK as it has been reported by many recent papers to be the overall best. The ligand I want to use id TESTOSTERONE , so…

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Ancient origin and constrained evolution of the division and cell wall gene cluster in Bacteria

Miyakawa, T., Matsuzawa, H., Matsuhashi, M. & Sugino, Y. Cell wall peptidoglycan mutants of Escherichia coli K-12: existence of two clusters of genes, mra and mrb, for cell wall peptidoglycan biosynthesis. J. Bacteriol. 112, 950–958 (1972). Article  CAS  PubMed  PubMed Central  Google Scholar  Ayala, J. A., Garrido, T., De Pedro,…

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New Algorithms That Harnessed Protein-folding Power in 2022

Big pharma companies have been researching protein folding for a long time now. Discoveries and innovations in the field can revolutionise the development of drug and other biological advancement. Recently, the development of the COVID-19 vaccine was also supported by tackling this issue.  Protein folding prediction process involves a combination…

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A novel causative functional mutation in GATA6 gene is responsible for familial dilated cardiomyopathy as supported by in silico functional analysis

Pérez-Serra, A. et al. Genetic basis of dilated cardiomyopathy. Int. J. Cardiol. 224, 461–472 (2016). PubMed  Article  Google Scholar  Petropoulou, E. et al. Digenic inheritance of mutations in the cardiac troponin (TNNT2) and cardiac beta myosin heavy chain (MYH7) as the cause of severe dilated cardiomyopathy. Eur. J. Med. Genet….

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Function of SYDE C2-RhoGAP family as signaling hubs for neuronal development deduced by computational analysis

Hallam, S. J., Goncharov, A., McEwen, J., Baran, R. & Jin, Y. Syd-1, a presynaptic protein with PDZ, C2 and rhoGAP-like domains specifies axon identity in C. elegans. Nat. Neurosci. 5, 1137–1146 (2002). CAS  PubMed  Google Scholar  Xu, Y. & Quinn, C. C. SYD-1 promotes multiple developmental steps leading to…

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DNASTAR Releases NovaFold AI Powered by AlphaFold 2

February 28, 2022, Madison, WI DNASTAR® announced today a new release of their leading protein structure prediction software, NovaFold, that incorporates the award-winning AlphaFold 2 AI system developed by Google-owned DeepMind. AlphaFold 2 was the top-ranked protein structure prediction method in the CASP14 challenge in 2020, significantly outperforming the other…

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Shaping modern human skull through epigenetic, transcriptional and post-transcriptional regulation of the RUNX2 master bone gene

Study of RUNX2 locus in modern and ancient humans The sequences of the RUNX2 locus (Chr6:45,318,000–45,670,000 hg38, for a total of 352.000 bases) have been aligned in AMH and ancient species’ (Neandertal and Denisovan) genomes to map the changes occurred during recent evolution. We have identified 459 and 470 changes…

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rosetta fold vs alphafold 2

S. Both AlphaFold and Xu use simple folding engines L-BFGS (L- Broyden–Fletcher–Goldfarb– Shanno (BFGS)) and CNS (Crystallography and NMR System), respectively, i.e., improvements come from a better energy potential using distributional information. The phase problem is a problem, to the point that in the past decade, several structures, such as M-PMV…

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Interpreting I-TASSER output

Interpreting I-TASSER output 1 Hi, Recently, i have received a protein structure result from I-TASSER. Here i have few questions to interpret the result: What does it mean by solvent accessibility value (0 to 9)? Does it mean near to 9 is more accessible to solvents? And if it likes…

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The LpoA activator is required to stimulate the peptidoglycan polymerase activity of its cognate cell wall synthase PBP1a

Significance Class A penicillin-binding proteins (aPBPs) assemble the bacterial cell wall and are the targets of penicillin and related β-lactam antibiotics. In gram-negative bacteria, the aPBPs require outer membrane lipoproteins to function. However, little is known about how these proteins promote the activity of their cognate synthases in cells. Here,…

Continue Reading The LpoA activator is required to stimulate the peptidoglycan polymerase activity of its cognate cell wall synthase PBP1a