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Fred salsbblue.bsky.social
@salsb
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computational biophysicist; professor of physics & grad program director at Wake Forest University; EiC, Journal of Biomolecular Structure & Dynamics.
Winston-Salem, NC
Joined May 2007
Investigating the thermostable protease Protease JJ through molecular dynamics. RoseTTAFold predicts a subtilisin-like sandwich structure, and MD simulations suggest stability at 60–90°C & strong interactions with BSA & β-casein #JBSD #MDsimulations 5/8
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Now for predicting chromatin structure with simulations! Using an extended SBS model, they developed ChroMC, a freely available tool for chromatin modeling which suggests that non-reactive chromatin is key for accurate predictions in Drosophila #JBSD 3/8
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V43 Issue 3 of #JBSD is out! We are still clearing out a backlog of articles from before we refined our aims & scope, but I'll highlight a few relevant ones. #biophysics 1/8
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A novel predictor for intrinsically disordered proteins harnesses random sequential amino acid profiles+ CIDER; by analyzing random physicochemical properties and order-promoting residue patterns, this approach overcomes challenges in prediction #JBSD 5/7
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Simulations of the E. coli FtsZ dimer suggest that GTP binding induces ~15° closure of helix H5 compared to GDP, modulating protofilament curvature and enhancing flexibility in the C-terminal IDR & SC2-HC2 regions. #MolecularDynamics #JBSD 4/7
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Oops. This is actually in Vol 43 Issue 2 #JBSD 3/7
I missed an article that I wanted to highlight in Vol 43 Issue 1: High-temp MD simulations suggest that salt bridges and Ca²⁺ binding drive the thermostability of Bacillus licheniformis α-amylase, unlike thermolabile Aspergillus niger α-amylase. #JBSD
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RT @AIP_Publishing: Check out this message 💬 from the founding Editor-in-Chief of APL Computational Physics, Xiaosong Li! Learn more 👇 htt…
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