๐Ÿš€ What if we could precisely target the CAPONโ€“nNOS axis โ€” a pathway long considered undruggable?

๐Ÿ”— Targeting CAPON to modulate the CAPONโ€“NOS Axis: a computational approach. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.11.001

๐Ÿ“š CSBJ: https://www.csbj.org/

#DrugDiscovery #ComputationalBiology #AlzheimersResearch #Neuroscience #ProteinProteinInteractions #VirtualScreening #MolecularDynamics #AIinDrugDiscovery

๐Ÿ”ฌ Can structural shifts at the atomic level decide treatment outcomes in AML?

๐Ÿ”— Understanding the characteristic behaviour of the wild-type and mutant structure of FLT3 protein by computational methods. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.10.023

๐Ÿ“š CSBJ: https://www.csbj.org/

#ComputationalBiology #MolecularDynamics #StructuralBiology #CancerResearch #AML #DrugDiscovery #PrecisionMedicine #KinaseResearch #Bioinformatics

๐Ÿงฌ How did changes at the atomic scale reshape viral infectivity?

๐Ÿ”— Stoichiometric insights into SARS-CoV-2 spikeโ€“ACE2 binding across variants. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.07.034

๐Ÿ“š CSBJ: https://www.csbj.org/

#COVID19 #SARSCoV2 #SpikeProtein #ACE2 #StructuralBiology #MolecularDynamics #Virology #Biophysics #ComputationalBiology

๐Ÿงฉ Could structural AI finally decode the complex language of T-cell antigen recognition?

๐Ÿ”— STAG-LLM: Predicting TCR-pHLA binding with protein language models and computationally generated 3D structures. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.09.004

๐Ÿ“š CSBJ: https://www.csbj.org/

#StructuralBiology #ProteinLanguageModels #Immunotherapy #ComputationalBiology #Bioinformatics #MachineLearning #Immunology #ProteinEngineering #TCR #HLA #DrugDiscovery #AI

Sat my butt down, drank too much โ€‹โ€‹ coffee, and wrote an introductory blog post exploring the amazing world of molecular dynamics. Bewhold! Check it out and do let me know what you think! โ€‹โ€‹ โค๏ธ Thank yoooou!
https://bugwhisperer.dev/blog/exploring-the-world-of-molecular-dynamics/
gemini://capsule.bugwhisperer.dev/posts/exploring-the-world-of-molecular-dynamics.gmi
#molecularDynamics #biophysics #blogging #scienceRules #computationalBiology
Exploring the World of Molecular Dynamics

Andie Keller's personal blog and site where they write about projects they are working on or random thoughts.

Andie Keller

Job Alert

Scientist in Computational Biology  

Deadline: 2025-12-20  
Location: Germany, Heidelberg

https://www.academiceurope.com/ads/scientist-in-computational-biology/

#CancerResearch #ComputationalBiology #Medicine #Healthcare #bioinformatics #hiring

๐Ÿงฌ What new possibilities emerge when Large Language Models (LLMs) meet large-scale omics data?

๐Ÿ”— Large language models and their applications in bioinformatics. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.09.031

๐Ÿ“š CSBJ: https://www.csbj.org/

#Bioinformatics #ArtificialIntelligence #LargeLanguageModels #ComputationalBiology #Genomics #Proteomics

โœจ Is it time to rethink allosteric site prediction using internal protein nanoenvironments?

๐Ÿ”— Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.10.036

๐Ÿ“š CSBJ: https://www.csbj.org/

#DrugDiscovery #ComputationalBiology #StructuralBiology #ProteinEngineering #Biophysics #Cheminformatics

๐Ÿ’Š Can understanding receptor bias help us design safer, more selective GPCR drugs?

๐Ÿ”— Biased activation of the vasopressin V2 receptor probed by molecular dynamics simulations, NMR and pharmacological studies. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.10.039

๐Ÿ“š CSBJ: https://www.csbj.org/

#GPCR #StructuralBiology #MolecularDynamics #NMR #Pharmacology #ProteinStructure #DrugDiscovery #ComputationalBiology #CellSignaling

๐Ÿงฌ Ever wondered how the genome actually looks when it folds inside the nucleus โ€” and how fast we can simulate it?

๐Ÿ”— Multiscale molecular modeling of chromatin with MultiMM: From nucleosomes to the whole genome. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.09.025

๐Ÿ“š CSBJ: https://www.csbj.org/

#ChromatinModeling #3DGenome #ComputationalBiology #Genomics #MolecularModeling #GenomeArchitecture #ChromatinStructure #HiC #ATACSeq #Biophysics #StructuralBiology