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15 Feb 2024
BMRC
Bioinformatics Institute
Coarse-Grained Model of Glycosaminoglycans for Biomolecular Simulations
Aishwary T. Shivgan,
Jan K. Marzinek,
Alexander Krah,
Paul Matsudaira,
Chandra S. Verma,
Peter J. Bond
Journal of Chemical Theory and Computation
23 Dec 2023
BMRC
Bioinformatics Institute
Mechanisms of allostery at the viral surface through the eyes of molecular simulation
Firdaus Samsudin,
Lorena Zuzic,
Jan K. Marzinek,
Peter J. Bond
Current Opinion in Structural Biology
8 Dec 2023
BMRC
Bioinformatics Institute
Membrane platform protein PulF of the Klebsiella type II secretion system forms a trimeric ion channel essential for endopilus assembly and protein secretion
Ingrid Guilvout,
Firdaus Samsudin,
Roland G. Huber,
Peter J. Bond,
Benjamin Bardiaux,
Olivera Francetic
mBio
20 Nov 2023
BMRC
Bioinformatics Institute
Variations of the Mycobacterium abscessus F-ATP synthase subunit a-c interface alter binding and potency of the anti-TB drug bedaquiline
Alexander Krah,
Priya Ragunathan,
Peter J. Bond,
Gerhard Gruber
Biochemical and Biophysical Research Communications
29 Sep 2023
BMRC
Bioinformatics Institute
Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs
Ganna Petruk,
Manoj Puthia,
Firdaus Samsudin,
Jitka Petrlova,
Franziska Olm,
Margareta Mittendorfer,
Snejana Hyllén,
Dag Edström,
Ann-Charlotte Strömdahl,
Carl Diehl,
Simon Ekström,
Björn Walse,
Sven Kjellstrom,
Peter J. Bond,
Sandra Lindstedt,
Artur Schmidtchen
Nature Communications
10 Sep 2023
BMRC
Bioinformatics Institute
Bioactive Suture with Added Innate Defense Functionality for the Reduction of Bacterial Infection and Inflammation
Manoj Puthia,
Jitka Petrlova,
Ganna Petruk,
Marta Butrym,
Firdaus Samsudin,
Madelene Å Andersson,
Ann‐Charlotte Strömdahl,
Sebastian Wasserstrom,
Erik Hartman,
Sven Kjellstrom,
Lucrezia Caselli,
Oxana Klementieva,
Peter J. Bond,
Martin Malmsten,
Deepak Bushan Raina,
Artur Schmidtchen
Advanced Healthcare Materials
16 Jun 2023
BMRC
Bioinformatics Institute
Impact on S. aureus and E. coli Membranes of Treatment with Chlorhexidine and Alcohol Solutions: Insights from Molecular Simulations and Nuclear Magnetic Resonance
Callum Waller,
Jan K. Marzinek,
Eilish McBurnie,
Peter J. Bond,
Philip T.F. Williamson,
Syma Khalid
Journal of Molecular Biology
8 May 2023
BMRC
Bioinformatics Institute
Nature-inspired synthetic oligourea foldamer channels allow water transport with high salt rejection
Chiranjit Dutta,
Pannaga Krishnamurthy,
Dandan Su,
Sung Hyun Yoo,
Gavin W. Collie,
Morgane Pasco,
Jan K. Marzinek,
Peter J. Bond,
Chandra Verma,
Axelle Grélard,
Antoine Loquet,
Jianwei Li,
Min Luo,
Mihail Barboiu,
Gilles Guichard,
R. Manjunatha Kini,
Prakash P. Kumar
Chem
3 May 2023
BMRC
Bioinformatics Institute
Dengue Virus Capsid Protein Facilitates Genome Compaction and Packaging
Priscilla L. S. Boon,
Ana S. Martins,
Xin Ni Lim,
Francisco J. Enguita,
Nuno C. Santos,
Peter J. Bond,
Yue Wan,
Ivo C. Martins,
Roland G. Huber
International Journal of Molecular Sciences
10 May 2020
BMRC
Bioinformatics Institute
Extending the Martini coarse-grained forcefield to N-glycans
Aishwary T. Shivgan,
Jan K. Marzinek,
Roland G. Huber,
Alexander Krah,
Richard H. Henchman,
Paul Matsudaira,
Chandra S. Verma,
Peter J. Bond
bioRxiv
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