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Excited to share our latest preprint (doi.org/10.64898/202...) introducing buffered Charge-Regulation Monte Carlo (b-CR-MC), a rigorous, efficient framework showing how dynamic charge regulation drives protein condensates toward their isoelectric points!

(Part 1/2) Excited to share our recent work led by Dr. Shiv Rekhi, now out in JACS (pubs.acs.org/doi/full/10....). We show that biomolecular condensates act as distinct solvation environments that reshape amino acid pKₐ values, favoring protonated states within the dense phase.

Excited to share our latest preprint (www.biorxiv.org/content/10.6...), which uses an interpretable graph neural network (GNN) to uncover the molecular features that govern the selective partitioning of small molecules into different biomolecular condensates.

(Part 1/2) Excited to share that a collaborative study led by the Prof. James Shorter Lab at UPenn on short RNA chaperones and TDP-43 aggregation is now published in Science (www.science.org/doi/full/10....).

The most recent volume of the Annual Review of Physical Chemistry is now online. The most read article so far is "Computational Modeling of Biomolecular Phase Separation: Current Progress and Open Challenges" by Rizuan et al. arevie.ws/4t44E0q @mittalgrouptamu.bsky.social

(Part 1/2) Excited to share our recent work led by PhD students Qizan Chen and Ryan Soucek, with Prof. Jeffrey D. Rimer (University of Houston), now out in JACS Au (pubs.acs.org/doi/full/10....). We show that molecular modifiers like riboflavin regulate ammonium urate crystallization.

Excited to share our latest preprint (www.biorxiv.org/content/10.6...) in collaboration with Prof. Marina Feric from Penn State University. In this work, we demonstrate how condensates assist in the assembly of the mitochondrial replication machinery.

(Part 1/2) Excited to share our recent work led by PhD students Azamat Rizuan and Shiv Rekhi, in collaboration with Prof. Joan-Emma Shea from UCSB, is now out in Annual Review of Physical Chemistry (www.annualreviews.org/content/jour...)

(Part 1/2) Excited to share our recent work done by Postdoc Dr. Anupam Mondal, in collaboration with Prof. Marcos M. Pires from the University of Virginia, is now out in Nature Communications (www.nature.com/articles/s41...).

(Part 1/2) Excited to share our recent work led by PhD student Beth Wei, in collaboration with Prof. Michael P. Howard from Auburn University, published in Molecular Systems Design & Engineering (pubs.rsc.org/en/content/a...).

(Part 1/2) Excited to share our work, led by PhD student Keerthivasan Muthukumar and postdoc Dr. Dinesh S. Devarajan, is now published in PNAS (www.pnas.org/doi/10.1073/...).

(Part 1/2) Excited to share new work by our PhD student Qizan Chen, in collaboration with Jeffery Rimer’s group, published in JPCC (pubs.acs.org/doi/full/10....). We study how subtle structural differences in uric acid tautomers affect ammonium urate crystals.

(Part 1/2) Excited to share our work (pubs.acs.org/doi/10.1021/...), led by PhD student Shuo-Lin Weng and postdoc Priyesh Mohanty. We used all-atom MD simulations to study the conformational dynamics and phase separation (PS) of full-length FUS protein.

(Part 1/2) Excited to share our recent work (pubs.acs.org/doi/full/10....) led by Ashish Shyam Tangade and Anupam Mondal. We developed a minimal coarse-grained model to simulate protein-DNA condensates.

Excited to share our recent work published in JACS Au (pubs.acs.org/doi/full/10....) led by PhD student Jiahui Wang! We reveal how small molecule cosolutes modulate the morphology of multicomponent condensates by tuning the relative interaction strengths between components.

Excited to share our recent work (www.sciencedirect.com/science/arti...) led by PhD student Busra Ozguney & postdoc Priyesh Mohanty! We reveal atomic-level insights into how GU-rich RNA binding modulates the conformational ensemble of TDP-43 RRMs, promoting function and preventing misfolding.

(1/2) We’re excited to share our recent work (elifesciences.org/reviewed-pre...) on HP1 phase separation, led by postdoc Tien Phan @tienphan.bsky.social ! We investigate LLPS differences among HP1 paralogs (HP1α, HP1β, HP1γ), key players in heterochromatin formation and gene regulation.

(1/2) We are excited to announce that our paper, led by PhD student Shiv Rekhi, has been published in PNAS: www.pnas.org/doi/10.1073/.... In this work we compute the transfer free energies of amino acid side chains from the dilute to the dense phase.