Sagar Khare
@sagarkhare.bsky.social
Professor, Chemistry and Chemical Biology, Rutgers University. Interested in protein design, enzymes, molecular modeling, biophysics, AI/ML for bioX.
Here for science, society and lack of toxicity
Here for science, society and lack of toxicity
Nature magazine asked me to write a "News& Views" article on a recent paper on computational enzyme design. We enjoyed writing it (especially for non-specialists), hope you enjoy reading it (and the excellent paper by Fleishman et al. it accompanies)!
Shared PDF link: rdcu.be/evlwJ
lnkd.in/eKxXm_b6
Shared PDF link: rdcu.be/evlwJ
lnkd.in/eKxXm_b6
Highly efficient enzymes designed from scratch | Nature
A computational workflow designs proteins with catalytic efficiencies comparable to those of some natural enzymes — a landmark result for the field. A computational workflow designs proteins with catalytic efficiencies comparable to those of some natural enzymes — a landmark result for the field.
rdcu.be
July 9, 2025 at 5:56 PM
Nature magazine asked me to write a "News& Views" article on a recent paper on computational enzyme design. We enjoyed writing it (especially for non-specialists), hope you enjoy reading it (and the excellent paper by Fleishman et al. it accompanies)!
Shared PDF link: rdcu.be/evlwJ
lnkd.in/eKxXm_b6
Shared PDF link: rdcu.be/evlwJ
lnkd.in/eKxXm_b6
Reposted by Sagar Khare
📢 New preprint, lead by Alex Bronstein, @sankethvedula.bsky.social and colleagues:
Guiding AlphaFold with experimental data.
This approach generates conformational ensembles guided by NMR, X-ray (or whatever) data. I am thrilled to tackle lots of exciting problems with it!
arxiv.org/abs/2502.09372
Guiding AlphaFold with experimental data.
This approach generates conformational ensembles guided by NMR, X-ray (or whatever) data. I am thrilled to tackle lots of exciting problems with it!
arxiv.org/abs/2502.09372
Inverse problems with experiment-guided AlphaFold
Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conf...
arxiv.org
February 17, 2025 at 4:35 PM
📢 New preprint, lead by Alex Bronstein, @sankethvedula.bsky.social and colleagues:
Guiding AlphaFold with experimental data.
This approach generates conformational ensembles guided by NMR, X-ray (or whatever) data. I am thrilled to tackle lots of exciting problems with it!
arxiv.org/abs/2502.09372
Guiding AlphaFold with experimental data.
This approach generates conformational ensembles guided by NMR, X-ray (or whatever) data. I am thrilled to tackle lots of exciting problems with it!
arxiv.org/abs/2502.09372
New pre-print alert! How does a chaperone prevent protein aggregation, especially of intrinsically disordered proteins? If we learn how, perhaps we could design inhibitory proteins based on the same mechanistic blueprint as much-needed therapeutic leads against neurodegenerative diseases. (1/n)
December 3, 2024 at 10:13 AM
New pre-print alert! How does a chaperone prevent protein aggregation, especially of intrinsically disordered proteins? If we learn how, perhaps we could design inhibitory proteins based on the same mechanistic blueprint as much-needed therapeutic leads against neurodegenerative diseases. (1/n)
Hello world! Feels good to be here :)
November 12, 2024 at 5:52 PM
Hello world! Feels good to be here :)