Govind
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govindia.bsky.social
Govind
@govindia.bsky.social
10 followers 30 following 3 posts
PhD | University of Delhi | Computational biology | CADD | MD Simulation | ML | Chemoinformatics
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govindia.bsky.social
The one who makes everyone falls but never falls herself
October 24, 2025 at 5:23 PM
govindia.bsky.social
The light shifts
So does everything...
October 24, 2025 at 5:19 PM
Reposted by Govind
lindorfflarsen.bsky.social
New review on computational design of intrinsically disordered proteins 🖥️🍝 by @giuliotesei.bsky.social @fpesce.bsky.social & 👴

doi.org/10.48550/arX...
Figure 3 from the paper with the caption: "Role of machine learning in de novo design of IDRs. (A) Machine-learning models can be trained on diverse data sources, from molecular dynamics simulations to annotations of cellular localization and protein structures from the Protein Data Bank. (B) Often implemented as neural networks using sequence-encoded features as input, these models can initially be trained on a limited region of sequence space as surrogate models. Through active learning, additional simulations are performed during the design campaign to generate new data, and the surrogate model is retrained on the expanded dataset to progressively improve its accuracy. (C) Machine-learning models have been developed to predict biophysical observables, biological annotations, and protein structures. When combined, machine-learning models can be used to identify a set of sequences that strike a trade-off between multiple design objectives, defining a Pareto front."
September 17, 2025 at 4:17 PM
govindia.bsky.social
Generalized and Explainable ML workflow for predicting AMR
bioinfoadv.bsky.social Bioinformatics Advances @bioinfoadv.bsky.social · Aug 26
🦠 Now published in Bioinformatics Advances: “An explainable machine learning pipeline for prediction of antimicrobial resistance in Pseudomonas aeruginosa”

Read the full paper here: https://doi.org/10.1093/bioadv/vbaf190
September 15, 2025 at 12:42 PM