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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 09/10/2026

Exciting news for our team at Texas A&M University! We are joining NATIVE-ID (Native-context Analysis and Therapeutic Intervention for Variant Ensembles in Intrinsically Disordered Proteins), an ARPA-H-funded initiative led by the UC Berkeley. @tamu.bsky.social

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 30/09/2026

(Part 2/2) Combining NMR experiments with MD, we show how RNA engages both the LC and RGG1 domains of FUS through a diverse interaction network involving Arg, Tyr, Gln, and other residues. Surprisingly, RNA also accelerates the liquid-to-solid transition of FUS condensates.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 30/09/2026

(Part 1/2) Excited to share our recent work with Prof. Nicolas Fawzi’s group (nicolasluxfawzi.bsky.social), now out in Angewandte Chemie (onlinelibrary.wiley.com/doi/full/10....)! We show how RNA reshapes FUS condensate assembly and dynamics. Congrats to Tongyin, Kandarp, Samara, Qizan, Priyesh!

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 16/09/2026

(Part 2/2) We show that condensates establish sequence-specific pH gradients toward their isoelectric points: alkaline for FUS and acidic for PGL-3. Buffer depletion further shows that dynamic charge regulation shapes condensate electrochemical microenvironments.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 16/09/2026

(Part 1/2) Excited to share our latest paper (doi.org/10.1063/5.03...), led by PhD student Shuo-Lin Weng and Dr. Shiv Rekhi! We introduce buffered Charge-Regulation Monte Carlo method to model dynamic charge regulation, buffer equilibria, and ion partitioning within condensates.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 03/09/2026

Excited to share our new preprint (www.biorxiv.org/content/10.6...). Using molecular dynamics simulations, we link reprogrammed protein interactions to condensate viscoelasticity and show that stiffer, gel-like condensates are preferentially packaged into neuronal exopher vesicles.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 30/07/2026

(Part 2/2) Using NMR and all-atom MD, we show that methionine oxidation disrupts both helical self-association and long-range transient contacts in the TDP-43 LC domain, both of which are important for its phase separation.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 30/07/2026

(Part 1/2) Excited to share our recent work with contributions from Dr. Busra Ozguney and Dr. Priyesh Mohanty, in collaboration with Prof. Nicolas Lux Fawzi’s group (@nicolasluxfawzi.bsky.social) at Brown University, now published in PNAS (doi.org/10.1073/pnas...)!

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Reposted by Mittal Group @ TAMU

Nicolas Lux Fawzi @nicolasluxfawzi.bsky.social · 29/07/2026

New from Fawzi + @mittalgrouptamu.bsky.social labs led by Busra Ozguney and Ryan Puterbaugh. Methionine oxidation in both helical conserved region and disordered regions of TDP-43 C-terminal domain decreases phase separation by perturbing different sets of contacts www.pnas.org/doi/10.1073/...

pnas.org

Methionine oxidation alters both helical assembly and disordered contacts in human TDP-43 C-terminal domain phase separation | PNAS

TAR DNA binding protein 43 (TDP-43), a key protein linked to ALS pathology, undergoes phase separation and forms functional assemblies via condensa...

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 21/07/2026

Excited to share our recent preprint (biorxiv.org/content/10.6...), where we show that each of HP1α's binding partners (CAF-1, LBR, and Sgo1) tunes its phase separation differently, while electrostatic interactions ultimately dominate how phosphorylated HP1α forms condensates.

biorxiv.org

The role of electrostatic interactions in the phase separation of HP1α and its protein binding partners

Heterochromatin protein 1α (HP1α) is an intrinsic component of heterochromatin domains where it is involved in a diverse set of functions including heterochromatin spreading and organization, chromati...

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 10/07/2026

We are hiring postdoctoral researchers. Please share!

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 08/07/2026

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!

doi.org

Molecular Origins of pH Gradients in Charge-Regulated Biomolecular Condensates

Biomolecular condensates exhibit spontaneous electrochemical microenvironments characterized by asymmetric ion distributions and pH gradients that emerge from protein-sequence-dependent charge regulat...

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 02/07/2026

(Part 2/2) Using all-atom constant pH molecular dynamics simulations, we find that condensates stabilize charged cationic residues and neutral anionic residues. These results reveal how condensate microenvironments regulate protein charge states and phase separation.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 02/07/2026

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 02/06/2026

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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 13/05/2026

(Part 2/2) Our simulations support a mechanism whereby RNA engagement with the TDP-43 RRMs drives allosteric coupling beyond the binding interface, influencing the conserved helical region of the prion-like domain and promoting aggregation-resistant TDP-43 conformers.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 13/05/2026

(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....).

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Reposted by Mittal Group @ TAMU

Annual Reviews @annualreviews.bsky.social · 27/04/2026

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

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 25/04/2026

(Part 2/2) This occurs by reshaping solution-phase solute assembly, shifting HU⁻ dimers toward crystal-conforming configurations. Such assembly-level control provides a mechanistic basis for solution-based modifier design, validated through crystal growth measurements.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 25/04/2026

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 07/03/2026

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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 12/02/2026

(Part 2/2) We review recent advances in CG models of protein phase separation, including phase coexistence methods, transferable models, and integration of atomistic and data-driven approaches. We also discuss environmental effects (temperature, salt, pH) and multidomain proteins

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 12/02/2026

(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...)

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 27/01/2026

(Part 2/2) Using CG simulations, we revealed how the NPM1 domain architecture stabilizes condensates and developed a stochastic first-passage theory that uncovered aging-induced slowing of molecular exchange due to interfacial resistance, complementing experimental measurements.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 27/01/2026

(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...).

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/01/2026

(Part 2/2) In this work, we present a constrained inverse design strategy that uses relative-entropy minimization to discover simple, experimentally relevant pair potentials that assemble complex crystal superlattices.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/01/2026

(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...).

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 03/01/2026

(Part 2/2) We studied how IDPs’ charge patterning and sequence length influence the condensate’s material properties and showed that a sticky-like framework can be used to predict material properties using the lifetime of residue-residue interactions within the condensate.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 03/01/2026

(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/...).

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/12/2025

(Part 2/2) Our simulations reveal that spontaneously formed tautomers can bind more strongly but incorrectly to crystal molecules, thereby disrupting crystal growth.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/12/2025

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 09/12/2025

(Part 2/2) Folded domains modulate structure by constraining IDR dynamics rather than participating in multivalent contacts. We also find a strong correlation between interactions in dilute and condensed phases, providing a tractable framework for studying PS in complex proteins.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 09/12/2025

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 18/11/2025

(Part 2/2) The model uncovers how homotypic and heterotypic interactions shape condensate architecture and reveals how protein dynamics differ depending on whether they are DNA-bound, in the dense phase, or freely diffusing.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 18/11/2025

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 18/08/2025

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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 06/08/2025

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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 28/07/2025

(2/2) Using homology modeling and multiscale simulations, we find that net charge and charge distribution affect LLPS, with input from both folded and disordered domains. DNA reshapes HP1 condensate stability by competing between paralogs, offering insights into chromatin organization.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 28/07/2025

(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.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/07/2025

(2/2) We provide insight into the role of protein-mediated vs. water-mediated interactions in driving phase separation. Our calculations reveal a striking charge asymmetry: positively charged residues transfer favorably within condensates, while negatively charged ones do not.

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Mittal Group @ TAMU @mittalgrouptamu.bsky.social · 22/07/2025

(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.

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