Python: The Documentary | An origin story

YouTube video by CultRepo (formerly Honeypot)

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Adriatic NMR 2025

Adriatic NMR Conference 2025. Adriatic NMR Conference will take place at Imperial Park Hotel, Vodice, Croatia, from 18 to 20 September 2025.

adriatic-nmr-conference.hkd.hr

Our Brain—Immune Axis Gets A Jolt

Facts, data and analytics about biomedical matters

erictopol.substack.com

Navigating protein landscapes with a machine-learned transferable coarse-grained model - Nature Chemistry

The development of a universal protein coarse-grained model has been a long-standing challenge. A coarse-grained model with chemical transferability has now been developed by combining deep-learning m...

doi.org

Scalable emulation of protein equilibrium ensembles with generative deep learning

Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system that...

science.org

Assistant, Associate, or Full Professor in BioChemistry

University of California, Merced is hiring. Apply now!

aprecruit.ucmerced.edu

Antiviral unveiled that goes after multiple coronaviruses

Open-science consortium discloses its lead candidate to fight SARS-CoV-2 and MERS-CoV

cen.acs.org

Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots

Enzymes are the quintessential green catalysts, but realizing their full potential for biotechnology typically requires improvement of their biomolecular properties. Catalysis enhancement, however, is often accompanied by impaired stability. Here, we show how the interplay between activity and stability in enzyme optimization can be efficiently addressed by coupling two recently proposed methodologies for guiding directed evolution. We first identify catalytic hotspots from chemical shift perturbations induced by transition-state-analogue binding and then use computational/phylogenetic design (FuncLib) to predict stabilizing combinations of mutations at sets of such hotspots. We test this approach on a previously designed de novo Kemp eliminase, which is already highly optimized in terms of both activity and stability. Most tested variants displayed substantially increased denaturation temperatures and purification yields. Notably, our most efficient engineered variant shows a ∼3-fold enhancement in activity (kcat ∼ 1700 s–1, kcat/KM ∼ 4.3 × 105 M–1 s–1) from an already heavily optimized starting variant, resulting in the most proficient proton-abstraction Kemp eliminase designed to date, with a catalytic efficiency on a par with naturally occurring enzymes. Molecular simulations pinpoint the origin of this catalytic enhancement as being due to the progressive elimination of a catalytically inefficient substrate conformation that is present in the original design. Remarkably, interaction network analysis identifies a significant fraction of catalytic hotspots, thus providing a computational tool which we show to be useful even for natural-enzyme engineering. Overall, our work showcases the power of dynamically guided enzyme engineering as a design principle for obtaining novel biocatalysts with tailored physicochemical properties, toward even anthropogenic reactions.

pubs.acs.org

Homepage - openRxiv

openRxiv is an independent non-profit, the new organizational home for bioRxiv and medRxiv, enabling researchers to instantly share groundbreaking findings with the global scientific community.

openrxiv.org

Comparison of Research Spending on New Drug Approvals by the NIH vs the Pharmaceutical Industry

This cross-sectional study examines National Institutes of Health and pharmaceutical industry investments in recent drug approvals.

jamanetwork.com

Judge issues preliminary injunction blocking Trump cuts to NIH research overhead payments

A federal judge issued a nationwide preliminary injunction blocking the Trump administration from slashing NIH payments for research overhead

statnews.com