Mutations in SARS-CoV-2 spike protein identified by mass spectrometry based phylogenetics and their structural and functional consequences #JBSD www.tandfonline.com/doi/full/10....
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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
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🎧 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
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Call for Papers – JBSD Special Collection: Generative AI, AI & ML in Biomolecular Structure & Dynamics. Submit work on structure prediction, flexibility, allostery & dynamics. Submission via the JBSD portal. #AI #JBSD #Biophysics accounts.taylorfrancis.com/identity/#/l...
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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
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If interested, let me know (salsbufr@wfu.edu) with your CV. These positions would be especially appropriate for mid-career faculty. 4/4 #JBSD
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Structural Biology: expertise for submissions using Cryo-EM, X-ray crystallography, NMR, and hybrid methods combining multiple structural techniques, and/or integrated methods with computation. But their focus would be on experimental work. 3/4 #JBSD
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Experimental Nucleic Acid Structure & Dynamics: expertise for submissions dealing with nucleic acid stability, thermodynamics, and folding dynamics; including uses of calorimetry, and fluorescence to study DNA/RNA interactions, nucleic acid binding, and structural stability. 2/4 #JBSD
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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
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Docking & in-silico mutagenesis show clemizole binds TRPC5 more tightly than TRPC6 because pocket residues in TRPC5 have higher ASA/RASA (greater accessibility). Accessibility is a key lever for designing selective TRPC inhibitors. #JBSD www.tandfonline.com/doi/full/10....
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MD reveals how α-helical magainin-2 & β-sheet protegrin-1 target bacterial membranes. Electrostatic Lys/Arg contacts anchor peptides; ΔG favors protegrin-1 on POPG/POPE 3:1 and magainin-2 on POPG/POPE 1:3. Insights might help guide AMP design. #JBSD www.tandfonline.com/doi/full/10....
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Recombinant HrpY from Ralstonia solanacearum self-assembles into pilus-like tubes (86–167 nm long, ~6 nm wide). Oligomers shrug off urea/GdnHCl & 50 °C but disassemble with detergents; SDS disrupts secondary structure. New clues to T3SS needle stability. #JBSD www.tandfonline.com/doi/full/10....
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G/C-rich loci in the hnRNP K promoter fold into pH/K⁺-responsive tetraplexes: G-quadruplexes repress, i-motifs activate. hnRNP K binds its own i-motif sites with Sp1, suggesting autoregulation. Ligands flip the switch. #JBSD www.tandfonline.com/doi/full/10....
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In Vol 43, Issue 9, In silico MD shows SELEX DNA aptamers bind Ebola NP: Apt1 KD 25 nM > Apt2 56 nM > Apt3 140 nM. Computation mirrors MST, speeding point-of-care EVD tests and showcasing in-silico/in-vitro synergy. #JBSD #MDSimulations www.tandfonline.com/doi/full/10....
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Spectroscopy and MD simulations reveal that S-isoalkyl thiosalicylic acid derivatives (L1–L3) bind HSA at Site I via static quenching. L3 shows the strongest, most stable interaction at Sudlow I, inducing notable conformational changes. #JBSD
www.tandfonline.com/doi/full/10....
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GSLAlign, a new local PPI network aligner, combines GraphSAGE-based community detection with sequence-similarity alignment. It outperforms previous methods in semantic similarity, connectivity, and coverage—enhancing cross-species PPI comparison. #JBSD www.tandfonline.com/doi/full/10....
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MD simulations show that Cu²⁺ binds strongly to His13/His14 in full-length and truncated Aβ peptides. Zn²⁺ and Fe³⁺ modulate Cu²⁺ binding and reduce aggregation tendency, especially in Aβ₁₋₁₆. Truncation & metal ion synergy shape Aβ structure. #JBSD #MDSimulations www.tandfonline.com/doi/full/10....
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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
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QM/MM analysis reveals how LysRS discriminates between lysine and toxic ornithine: substrate-assisted self-cyclization edits Orn-AMP with a lower barrier (101.2 kJ/mol) vs. Lys-AMP (140.2 kJ/mol), enabling efficient pre-transfer proofreading. #JBSD #QMMM t.co/VgtW2aANZn
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From Vol 43, Issue 8 MD simulations show that MGMT mutations alter structure and binding: L84F/K125E mimics wild-type in free form, but L84F alone shows distinct interactions with PCNA/DNA and the highest binding free energy—highlighting SNP-driven conformational shifts. #JBSD #MDSimulations
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We are pleased at JBSD that Professor Dmitry O. Zharkov (Institute of Chemical Biology & Fundamental Medicine, SB RAS / Novosibirsk State University), a leading authority on DNA repair & DNA glycosylases, is continuing with us as an Editorial Board member. #JBSD #DNARepair #BaseExcisionRepair
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We are pleased to welcome Professor Lynn Zechiedrich (Baylor College of Medicine), a leading expert in DNA topology, supercoiling & topoisomerases, to our JBSD Editorial Board. #JBSD #DNATopology #Topoisomerase #NucleicAcids www.bcm.edu/people-searc...
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We are pleased to welcome Professor Mauricio Comas-García (Autonomous University of San Luis Potosí), a physical virologist illuminating ssRNA virus assembly and RNA-genome packaging, to the JBSD Editorial Board. #JBSD #PhysicalVirology mauriciocomas.wixsite.com/viralassembl...
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We are pleased to welcome Professor Ana-Nicoleta Bondar (University of Bucharest) to the JBSD Editorial Board. Her expertise in theoretical molecular biophysics will enrich our journal. #JBSD #MembraneBiophysics #ComputationalBiophysics unibuc.ro/user/ana.bon...
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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...
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We are pleased at JBSD that Professor Vladimir Uversky (University of South Florida), a pioneer in intrinsically disordered proteins and protein misfolding, is continuing with us as an Editorial Board member. #JBSD #IDPs #ProteinMisfolding t.co/HSFBiCZfM5
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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
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We are pleased to welcome Dr. Lipi Thukral (CSIR-IGIB) to the JBSD Editorial Board. Her work in computational protein and lipid dynamics will enrich our journal's scope. #JBSD #ProteinDynamics @lipithukral.bsky.social www.igib.res.in?q=LipiThukral
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We are pleased at JBSD that Professor R. Sowdhamini (NCBS, Bengaluru), a leader in computational protein science and structural bioinformatics, is continuing with us as an Editorial Board member. #JBSD #StructuralBioinformatics www.ibab.ac.in/research/pro...
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Professor Yasien Sayed (Wits University) joins the #JBSD Editorial Board! He is Director of Wits’ Protein Structure-Function Research Unit and brings expertise in structural biology and protein structure and function. #StructuralBiology
www.wits.ac.za/people/acade...
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