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Publication date Communities Collections Article title Author(s) Journal/Conference
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
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 (Pending publish) Alexander Krah, Priya Ragunathan, Peter J. Bond, Gerhard Gruber Biochemical and Biophysical Research Communications
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
3 Mar 2020 BMRC Bioinformatics Institute How Ligand Binding Affects the Dynamical Transition Temperature in Proteins Alexander Krah, Roland G. Huber, Peter J. Bond ChemPhysChem
28 Nov 2019 BMRC Bioinformatics Institute On the ion coupling mechanism of the MATE transporter ClbM Alexander Krah, Roland G. Huber, Ulrich Zachariae, Peter J. Bond Biochimica et Biophysica Acta (BBA) - Biomembranes
1 Mar 2019 BMRC Bioinformatics Institute Insights into water accessible pathways and the inactivation mechanism of proton translocation by the membrane-embedded domain of V-type ATPases Alexander Krah, Jan K. Marzinek, Peter J. Bond Biochimica et Biophysica Acta (BBA) - Biomembranes
5 Sep 2018 BMRC Bioinformatics Institute Single mutations in the ε subunit from thermophilic Bacillus PS3 generate a high binding affinity site for ATP Alexander Krah, Peter J. Bond PeerJ