Rohit V. Pappu

@rohitpappu68.bsky.social

Biophysics, soft matter physics, intrinsically disordered proteins, macromolecular interactions, & phase transitions are my interests. Discovery through rigor and collaboration is my passion. Kindness, generosity, humility, and justice are my hopes.

We used rigorous finite size scaling aided by Binder cumulants to map critical vs. near critical regions of a PLCD. Cluster-size distributions provide tell-tale markers of proximity to the critical point & scaling approaches fail in mapping theta states of IDPs. dx.doi.org/10.1088/1361...

Distinguishing near- versus off-critical phase behaviors of intrinsically disordered proteins

Distinguishing near- versus off-critical phase behaviors of intrinsically disordered proteins, Mitra, Gaurav, Ghosh, Souradeep, Ruff, Kiersten M, Zhang, Ruoyao, Chauhan, Gaurav, Pappu, Rohit V

dx.doi.org

Nuclear speckle associated RRM-containing proteins are block copolymers. They make size-limited, ordered microphases, tens of nm in size comprising tens of molecules. Speckles are likely clusters or emulsions of distinct microphases and not macrophases www.sciencedirect.com/science/arti...

Nuclear speckle proteins form intrinsic and MALAT1-dependent microphases

Pre-mRNA processing components in nuclear speckles encompass one or more folded RNA recognition motifs (RRMs) and disordered regions with specific seq…

sciencedirect.com

Are stress granules crucibles or protective against amyloid fibril formation? Read about our work at Mol Cell: "Tunable metastability of condensates reconciles their dual roles in amyloid fibril formation". Wonderful collaboration with @rohitpappu68.bsky.social and other colleagues (see next post)!

ScienceDirect.com | Science, health and medical journals, full text articles and books.

nam11.safelinks.protection.outlook.com

Rohit V. Pappu@rohitpappu68.bsky.social · last yr.

With @tanjamittag.bsky.social we asked if A1-LCD condensates are protective or crucibles for amyloid fibril formation. Their interfaces enable fibril nucleation but their interiors suppress fibril formation. Insights were transferrable to stress granules in cells. doi.org/10.1016/j.mo...

This collaboration with @luciastrader.bsky.social‬ emerged as the result of a serendipitous interaction in Zurich in 2022. Lucia presented data for movement of ARF condensates during her talk & I was convinced this was Motility Influenced Phase Separation (MIPS). And so, the collaboration began!

Lucia Strader@luciastrader.bsky.social · last yr.

Biomolecular condensates are critical for organizing cellular contents, but most studies focus on phase separation driven by salt, pH, or temperature. But what if intracellular movement also matters? Here, we explore motility-induced condensation in the cell. www.science.org/doi/10.1126/...

Some cheerful news! Mina Farag, PhD alum of the lab, and MD/PhD student at WashU was selected as Spencer T. Olin Fellow for his doctoral thesis work. Olin Fellows are “recognized for past achievement and the promise of a distinguished career in the biomedical sciences”. Congratulations Mina!

Happy New Year to everyone. With kindness, generosity, courage, and determination we will succeed in our respective endeavors. To all those whose generosity I benefit from, thank you so much! I shall strive to be equally generous to each of you.

🚨Announcing NetSci: a super fast tool to compute correlated motion in biomolecules pubs.acs.org/doi/10.1021/... @pabloarantes.bsky.social & team also made it into a Colab notebook: colab.research.google.com/drive/1GGJKr... Give it a try & send feedback!

NetSci: A Library for High Performance Biomolecular Simulation Network Analysis Computation

We present the NetSci program–an open-source scientific software package designed for estimating mutual information (MI) between data sets using GPU acceleration and a k-nearest-neighbor algorithm. This approach significantly enhances calculation speed, achieving improvements of several orders of magnitude over traditional CPU-based methods, with data set size limits dictated only by available hardware. To validate NetSci, we accurately compute MI for an analytically verifiable two-dimensional Gaussian distribution and replicate the generalized correlation (GC) analysis previously conducted on the B1 domain of protein G. We also apply NetSci to molecular dynamics simulations of the Sarcoendoplasmic Reticulum Calcium-ATPase (SERCA) pump, exploring the allosteric mechanisms and pathways influenced by ATP and 2′-deoxy-ATP (dATP) binding. Our analysis reveals distinct allosteric effects induced by ATP compared to dATP, with predicted information pathways from the bound nucleotide to the calcium-binding domain differing based on the nucleotide involved. NetSci proves to be a valuable tool for estimating MI and GC in various data sets and is particularly effective for analyzing intraprotein communication and information transfer.

pubs.acs.org

U.S. attorney SDNY: Jay Clayton (L, D) Department of Government Efficiency: Elon Musk and Vivek Ramaswamy (D, R) Deputy chief of staff: Dan Scavino (L) Deputy chief of staff for policy and homeland security adviser: Stephen Miller (R)