Sthitadhi Maiti
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smaiti7.bsky.social
Sthitadhi Maiti
@smaiti7.bsky.social
Computational Biophysics postdoc exploring CG models of proteins at Univ. Genova, Italy. 🇮🇹
Ph.D. from Arizona State University, USA. 🇺🇸
Amateur artist, photographer, and music enthusiast. 🎨 📷 🎶

Website: smaiti7.github.io
Reposted by Sthitadhi Maiti
She died in binary. That’s dedication. RIP.
April 1, 2025 at 12:05 PM
Reposted by Sthitadhi Maiti
The paper describing our community effort to collect and organize #plumed tutorials has been published in the Journal of Chemical Physics, as part of the Michele Parrinello Festschrift! doi.org/10.1063/5.02...
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
In computational physics, chemistry, and biology, the implementation of new techniques in shared and open-source software lowers barriers to entry and promotes
doi.org
March 4, 2025 at 2:13 PM
Reposted by Sthitadhi Maiti
It’s been 20 years today since my first paper on intrinsically disordered proteins

Mapping Long-Range Interactions in α-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations
doi.org/10.1021/ja04...

and I thought I would tell the somewhat random path that led to this paper. 1/n
Mapping Long-Range Interactions in α-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations
The intrinsically disordered protein α-synuclein plays a key role in the pathogenesis of Parkinson's disease (PD). We show here that the native state of α-synuclein consists of a broad distribution of...
doi.org
December 21, 2024 at 5:09 PM
Reposted by Sthitadhi Maiti
Now online at JCTC:
“Is the Functional Response of a Receptor Determined by the Thermodynamics of Ligand Binding?”

Our answer: Yes, it is!
And we can use it to predict ligand efficacy.

pubs.acs.org/doi/10.1021/...
November 9, 2023 at 11:45 PM