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salsbblue.bsky.social
HEXA with pyrimethamine: average intermolecular H-bond counts were ≈3.8 for W474C, ≈1.8 for native and ≈2.2 for W485R in 500 ns simulations.
Article: www.tandfonline.com/doi/full/10....
Audio: open.spotify.com/episode/0wwl...
#JBSD
Black-and-gold JBSD infographic with a labeled study-workflow schematic. A screen of 158 missense variants leads to W474C and W485R. Both variants and a separate native HEXA reference enter 500 ns molecular dynamics analysis with pyrimethamine. Reported average backbone RMSD values are approximately 0.230 nm for native, 0.224 nm for W474C and 0.264 nm for W485R. Average intermolecular hydrogen-bond counts are approximately 1.8, 3.8 and 2.2, respectively. Gold highlights show W485R has the highest average backbone RMSD and W474C the highest average hydrogen-bond count. Source: S. Ranjani et al., Table 12.
September 21, 2026 at 1:36 PM
salsbblue.bsky.social
kerC mean radius of gyration: ≈2.06 nm in [AMIM]Cl, ≈2.09 nm in water and ≈2.49 nm in [BMIM]Br (100–200 ns).
Article: www.tandfonline.com/doi/full/10....
Audio: open.spotify.com/episode/7b0F...
#JBSD
Dark-and-gold JBSD infographic with a labeled study schematic linking keratinase kerC to three solvent conditions. Mean radius of gyration over 100–200 ns was approximately 2.06 nm in [AMIM]Cl, close to 2.09 nm in water, and 2.49 nm in [BMIM]Br. Ionic liquids were at 0.5 M in 200 ns simulations. Gold, white and teal distinguish the conditions. Rai and Hasija, Volume 44, Issue 12; Section 3.2.5.1 and Figure 12.
September 28, 2026 at 1:55 PM
lby2k99.bsky.social
,JBSD,VJBDFBDBSKNFFNBKJD 😭
February 16, 2025 at 9:05 AM
cutterschoiceradio.bsky.social
JBSD- The Other Music Show live at 8
cutterschoiceradio.com
December 9, 2024 at 6:10 PM
salsbblue.bsky.social
Bitopertin scored 1.382 for DAT and 0.794 for GlyT1 by Exponential Consensus Ranking across three docking programs.
Article: www.tandfonline.com/doi/full/10....
Audio: open.spotify.com/episode/323O...
#JBSD
Black-and-gold JBSD infographic with a labeled ranking schematic. A geometric Bitopertin node branches to DAT, ECR 1.382, in gold and GlyT1, ECR 0.794, in teal. Bitopertin scores higher for DAT than GlyT1. Two smaller annotations identify NFPS_2 as first for GlyT1 at ECR 1.896 and Org 24598_2 as first for GlyT2 at ECR 1.075. ECR combines ranks from AutoDock Vina, GOLD and DockThor. Source: Nascimento and colleagues, Section 3.3 and Figure 4.
September 23, 2026 at 12:56 PM
salsbblue.bsky.social
Helping to organize the NextGen Conversations in Biomolecular Structure & Dynamics as JBSD EiC
June 8, 2026 at 2:25 AM
salsbblue.bsky.social
JBSD and NextGen conversations materials at the literature table to pick up! #bps2026
February 22, 2026 at 11:22 PM
fromthevoid.net
22/ One song that pumps you up

@cmilner.bsky.social (DE team) would say it depends on what she's getting pumped up for, but will never *not* headbang to Equivalence by Insomnium.

(Even better when listened to as one piece with the next song, Down With The Sun)
www.youtube.com/watch?v=JbSd...
Insomnium - Equivalence, Down With The Sun
YouTube video by scottdontknow1
www.youtube.com
March 20, 2025 at 8:35 AM
salsbblue.bsky.social
Our Special Collection on GAI in Biomolecular Structure & Dynamics has its first article! We will be accepting submissions for at least all of 2026, so submit away!
lnkd.in/eU3tvWRZ To submit, use our regular submission site ( lnkd.in/e6PDTU97) and indicate the collection in the cover letter. #jbsd
January 15, 2026 at 8:22 PM
salsbblue.bsky.social
We are pleased to welcome Professor T. Michael Sabo (University of Louisville) to the JBSD Editorial Board. His expertise in protein dynamics and NMR spectroscopy will enhance our journal’s focus on biomolecular structure and function. #JBSD #ProteinDynamics #NMR
April 29, 2025 at 2:11 PM
pyyyyypyyyyyp.bsky.social
あずーささんとさすけさんだ！
www.youtube.com/watch?v=Jbsd...
霧傷 / 梓川（Visualizer）
YouTube video by 梓川 / Azsagawa
www.youtube.com
March 24, 2026 at 12:06 PM
salsbblue.bsky.social
In a 600 ns simulation, the DNA–topoisomerase IB complex stabilized after 150 ns. MM/GBSA gave a binding free energy of −43.96 ± 1.56 kcal/mol. The proposed rotation mechanism remains computational. Article: doi.org/10.1080/0739... #JBSD
Square JBSD results card about a 600 ns computational study of DNA rotation by human topoisomerase IB using the PDB 1A36 model. Three panels report that the DNA and enzyme stabilized after 150 ns, with mean deviations up to 3.5 Å and 2.4 Å; the MM/GBSA binding free-energy estimate was −43.96 ± 1.56 kcal/mol; and Lys318 contributed −14.2 kcal/mol in the per-residue decomposition. The card labels controlled rotation as the authors’ interpretation and notes that experimental validation is still needed.
August 31, 2026 at 5:02 PM
salsbblue.bsky.social
JBSD study: eight amino-acid osmolytes changed α-synuclein fibrillation. Arginine and N-acetyl-lysine inhibited fibril formation above thresholds; lysine, asparagine, and glutamate accelerated it. Audio: open.spotify.com/episode/1Vwz...
July 17, 2026 at 2:47 PM
salsbblue.bsky.social
We are pleased to welcome Professor Julien Roche (Iowa State) to the JBSD Editorial Board. His expertise in protein folding, intrinsically disordered proteins, and high-pressure NMR spectroscopy will enhance our journal's #JBSD #ProteinFolding #NMR #IDP www.bbmb.iastate.edu/people/julie...
Julien Roche
The research projects in my group are focused on the study of protein folding, design and evolution using solution Nuclear Magnetic Resonance spectroscopy and a variety of complementary biophysical me...
www.bbmb.iastate.edu
May 12, 2025 at 4:58 PM
salsbblue.bsky.social
Three 500-ns simulations show cGAS-DNA monomers rotate DNA ~40° and remain inactive, while long DNA raises the disassembly barrier from ~131 to 174 kcal/mol. New JBSD Audio Overview: open.spotify.com/episode/37RE...
August 12, 2026 at 1:53 PM
salsbblue.bsky.social
Welcome Dr. Vincenzo Carnevale (Temple Univ) as our new Associate Editor! He applies statistical physics & ML to protein sequence‑structure‑function problems using MD, Monte Carlo, generative models, and deep learning. A valuable addition to our team. #JBSD @templeuniversity.bsky.social
September 2, 2025 at 3:56 PM
salsbblue.bsky.social
🎧 New #JBSD podcast episode! We’re featuring AI-generated audio overviews of key articles.
Next up: “Unlocking Lipase: Surviving the Alcohol Gauntlet for Greener Chemistry.”
Listen on Spotify 👇
open.spotify.com/show/5Y8hkFT...
#AIinScience
Spotify – Web Player
open.spotify.com
November 3, 2025 at 8:47 PM
salsbblue.bsky.social
Longer heparin chains strengthened simulated SARS-CoV-2 RBD binding in DNA-origami nanocomplexes: ΔGbind shifted from −36.9 to −170.9 kJ/mol and rupture force from ~350 to ~750 pN. 🎧 open.spotify.com/episode/4ID8... #JBSD
August 17, 2026 at 3:01 PM
salsbblue.bsky.social
How do temperature and water-model polarity shape liposome self-assembly? Javadi, Ramezani & Darvishi report 800 ns at 300 K vs 250 ns at 400 K, with spherical vs ellipsoidal vesicles across Martini water models. 🎧 open.spotify.com/episode/1lm1... #JBSD
August 3, 2026 at 2:36 PM
salsbblue.bsky.social
The Journal of Biomolecular Structure & Dynamics is looking for more Associate Editors as we expand the scope of articles we attract. We are looking for experimentalists in 1) nucleic acid structure & dynamics and 2) Structural biology. More details in thread 1/4 #JBSD
July 3, 2025 at 3:34 PM
salsbblue.bsky.social
Using protein dynamics in RFdiffusion raised stable KRAS binder designs from 30% to 60%. Even the lowest-ranked dynamic design had a 42% larger buried interface and 57% more H-bonds than the best static design. New JBSD Audio Overview: open.spotify.com/episode/1JTM...
August 7, 2026 at 8:31 AM
salsbblue.bsky.social
MD simulations reveal that glucose-mediated glycation alters HSA structure—reducing α-helical content, distorting Sudlow sites, shifting Trp214 orientation, and disrupting domain mobility and hydration—potentially impairing ligand binding. #JBSD t.co/VJsY7rHWrg
https://www.tandfonline.com/doi/full/10.1080/07391102.2024.2301749
t.co
May 28, 2025 at 7:24 PM
salsbblue.bsky.social
We are pleased at JBSD that Professor Remo Rohs (University of Southern California), a pioneer in computational structural biology, is continuing with us as an Editorial Board member. His integration of genomics and 3D structure has advanced our understanding of protein-DNA recognition. #JBSD
The Rohs Lab | Quantitative and Computational Biology | University of Southern California
The Rohs Lab is located at the University of Southern California in the Department of Quantitative and Computational Biology. The main focus of our Computational Biology and Bioinformatics research group is the integration of two fields of research: genomics and structural biology.
www.rohslab.org
May 6, 2025 at 1:30 PM
salsbblue.bsky.social
AI can make disorder look folded. For α-synuclein, mean Rg was 23.3/19.9 Å with AlphaFlow/AlphaFlow-MD vs 34.2/35.9 Å with AFflecto/Ensemblify—closer to ~33 Å experimentally. None captured every ensemble feature. doi.org/10.1080/0739... #JBSD
Square JBSD scientific results card comparing four AI pipelines for 140-residue α-synuclein. A four-column comparison reports mean radius of gyration: AlphaFlow 23.3 ± 4.3 Å, AlphaFlow-MD 19.9 ± 2.1 Å, AFflecto 34.2 ± 8.0 Å, and Ensemblify 35.9 ± 7.7 Å, with an experimental comparison near 33 Å. AFflecto and Ensemblify are shown as expanded, coil-rich ensembles with broader shape-space coverage. A note states that no pipeline captured every intramolecular contact or experimental secondary-structure value. Any protein-chain icons are labeled schematic ensembles.
August 28, 2026 at 10:12 AM
cutterschoiceradio.bsky.social
www.justgiving.com/crowdfunding... Cutters Choice DJ JBSD and his girlfriend lost everything in a fire at the weekend, thankfully both are safe. Lets help them get back on their feet.
Help raise £1000 to Support Ema Walter after fire destroys her home – JustGiving Crowdfunding
Iʼm raising money to Support Ema Walter after fire destroys her home. Support this JustGiving Crowdfunding Page.
www.justgiving.com
May 12, 2025 at 5:45 PM