Thursday, November 21, 2024

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Unlock Molecular Conformations with Moltiverse Using Enhanced Sampling Molecular Dynamics Simulations

For drug development to be effective, it is essential to accurately predict the various bound-state conformations of small compounds, especially in situations where intricate...

AlphaFold3 Goes Open Source: A New Chapter in AI-Powered Protein Science

In a significant move for the scientific community, Google DeepMind has finally released the open-source code for AlphaFold3, their groundbreaking protein structure prediction tool....

New Bacterial Anti-Viral Defense System Revealed: How mRNA Alteration Stops Infection

As biologists have noticed, evolution has modified both bacteria and bacteriophages (i.e., viruses of bacteria), making them more complex on a smile's molecular level....

PharmacoNet: Revolutionizing Ultra-Large-Scale Virtual Screening for Drug Discovery with Deep Learning-Powered Pharmacophore Modeling

Virtual screening techniques, which concentrate on binding affinities, are becoming more and more popular for early-stage drug development. Although deep learning-based methods predict binding...

Exploring Mitochondrial DNA Mutations with Mosaicism in Cancer and Aging

Currently, we know that genomic variations are gathered up in somatic cells as one age, but we have a limited understanding of mitochondrial DNA...

Beyond Virtual Screening: How Rag2Mol Transforms AI-Driven Drug Discovery

The process of drug discovery has always necessitated a large amount of time and effort as it requires a careful combination of both chemical...

RAPIDDOCK: Revolutionizing Drug Discovery with Transformer-Based High-Speed Molecular Docking

Small molecule drug discovery could be revolutionized by molecular docking tools. Still, current molecular docking methods are slow to screen targets, leading to missed...

Scripps Scientists Unveil New Proteins with Potential to Slow Cancer Growth

To fight cancer, we must stop their metastasis or uncontrolled multiplication. Hence, it is important to understand what proteins these cancer cells need for...

The Encyclopedia of Domains: Mapping the Diversity of Protein Domains in the AlphaFold Database

Information about the function and three-dimensional structures of proteins can be found in the AlphaFold Protein Structure Database (AFDB). Almost all of the proteins...

Turning Genes On and Off: AI-Designed DNA Switches Revolutionize Gene Regulation

In this day and age, artificial intelligence is everywhere; it’s omnipresent. It is utilized in healthcare, finance, entertainment, IoT, agriculture, marketing, cybersecurity, and so...

Decoding Complex Interactions: How AlphaBridge Enhances Macromolecular Structure Interpretation

Scientists can now model interactions and assess the possibility that proteins will form multimers or interact with other proteins or nucleic acids thanks to...

How Can Synthetic Genomes Revolutionize Cancer Research and Precision Oncology?

Cancer, a complex disease arising from genetic alterations, has been a major global health challenge. Researchers have been able to make considerable progress in...

Building with Proteins: A New Modular Approach to Nanomaterials Design

Scientists present a modular bond-centric strategy for designing protein nanomaterials that are motivated by the wide range of chemical configurations that may be produced...

Advancing Protein Function Prediction: ProtEx’s Exemplars-based Retrieval-Augmented Approach

The challenge of connecting a protein sequence to its fundamental biological function is becoming more and more significant in the field of biology. The...

DeltaDock: Streamlining Molecular Docking with a Unified, Reliable Framework

DeltaDock is a novel two-stage framework capable of performing molecular docking, which has not been achieved before. It does so by combining the strengths...

Deep Learning Models in Pathogenicity Prediction: Insights from Hereditary Breast Cancer Gene Variants in the UK Biobank

Deep learning models have been used to predict the pathogenicity of mutations in hereditary breast cancer gene variants in the UK Biobank. Here, researchers...

Meet BioFunctional: A Comprehensive Tool for KEGG Pathway and Gene Ontology Analysis

In the field of biological research, understanding the relationship between different biological components and their function is complicated. Functional analysis, a part of computational...

InstructBioMol: Empowering Researchers to Design Biomolecules through AI and Human Collaboration

Drug discovery, synthetic biology, and enzyme engineering are all dependent on the ability to comprehend and create biomolecules, such as proteins and tiny molecules....

Computing the Human Interactome: A Deep Dive into Protein Interactions

A recent study by a team of researchers has made significant strides in unraveling this complex puzzle of human interaction. The human interactome encompasses...

Understanding FlexLMM: A Nextflow Framework for Genome-Wide Association Studies

Genome-wide association Studies (GWAS) consider sequencing the DNA of a person and then comparing it with a population to find genetic markers associated with...

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How BALM is Redefining Binding Affinity Prediction for Unseen Targets and Drugs

How BALM is Redefining Binding Affinity Prediction for Unseen Targets and Drugs

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In the fast-paced world of drug discovery, one of the most crucial aspects is understanding protein-ligand interactions. With the correct algorithms for predicting protein-ligand...
EPBDxDNABERT-2: A Multi-Modal Deep Learning Model for Enhanced Transcription Factor DNA Binding Prediction

EPBDxDNABERT-2: A Multi-Modal Deep Learning Model for Enhanced Transcription Factor DNA Binding Prediction

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It has been demonstrated that there is a functional correlation between transcriptional activity, thermodynamic stability, DNA breathing, and transcription factor (TF) binds. The researchers...
Omega-3 and Omega-6 Fatty Acids: New Allies in Cancer Prevention

Omega-3 and Omega-6 Fatty Acids: New Allies in Cancer Prevention

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A groundbreaking new research from the University of Georgia unveils that omega-3 and omega-6 fatty acids may play an integral role in cancer prevention,...
The Future of Bioinformatics: Building Expertise for Data-Driven Discovery

The Future of Bioinformatics: Building Expertise for Data-Driven Discovery

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In an era where biological data grows exponentially, bioinformatics has emerged as a vital interdisciplinary field that combines biology, computer science, mathematics, and statistics....
The Power of Foundation Models in Pathology: How Paige's Virchow is Changing Cancer Detection

The Power of Foundation Models in Pathology: How Paige’s Virchow is Changing Cancer Detection

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Computational pathology is the evolution of cancer diagnosis into a new era, with the application of artificial intelligence to understand complex histopathology images. Generally,...