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Publication date Communities Collections Article title Author(s) Journal/Conference
27 Nov 2025 BMRC Bioinformatics Institute The Inlet, Outlet, and New Ratchet Element for Proton Transfer of the <i>Acinetobacter baumannii</i> F-ATP Synthase and Their Critical Role for Viability (Pending publish) Khoa Cong Minh Le, Vandana Grover, Amaravadhi Harikishore, Tuck Choy Fong, Jan Kazimierz Marzinek, Alexander Krah, Dang Hai Pham, Peter John Bond, Gerhard Gruber ACS Infectious Diseases
31 Jan 2025 BMRC Bioinformatics Institute Water occupancy in the Acinetobacter baumannii F-ATP synthase c-ring and its implications as a novel inhibitor target (Pending publish) Alexander Krah, Vandana Grover, Tuck Choy Fong, Peter J. Bond, Gerhard Gruber Structure
13 Jul 2024 BMRC Bioinformatics Institute Exploring bat-inspired cyclic tryptophan diketopiperazines as ABCB1 Inhibitors Javier Yu Peng Koh, Yoko Itahana, Alexander Krah, Habib Mostafa, Mingmin Ong, Sahana Iwamura, Dona Mariya Vincent, Sabhashina Radha Krishnan, Weiying Ye, Pierre Wing Chi Yim, Tushar M. Khopade, Kunihiko Chen, Pui San Kong, Lin-Fa Wang, Roderick W. Bates, Yasuhisa Kimura, Rajesh Viswanathan, Peter J. Bond, Koji Itahana Communications Chemistry
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
3 Jan 2024 BMRC Bioinformatics Institute High efficacy of the F-ATP synthase inhibitor TBAJ-5307 against nontuberculous mycobacteria in vitro and in vivo Priya Ragunathan, Patcharaporn Sae-Lao, Claire Hamela, Matthéo Alcaraz, Alexander Krah, Wee Han Poh, Carmen Jia Ern Pee, Albert Yick Hou Lim, Scott A. Rice, Kevin Pethe, Peter J. Bond, Thomas Dick, Laurent Kremer, Roderick W. Bates, Gerhard Gruber Journal of Biological Chemistry
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
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