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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
5 Apr 2020 BMRC Bioinformatics Institute A benzene-mapping approach for uncovering cryptic pockets in membrane-bound proteins Lorena Zuzic, Jan K. Marzinek, Jim Warwicker, 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
12 Feb 2020 BMRC Bioinformatics Institute Not all therapeutic antibody isotypes are equal: the case of IgM versus IgG in Pertuzumab and Trastuzumab Firdaus Samsudin, Joshua Yi Yeo, Samuel Ken-En Gan, Peter J. Bond Chemical Science
7 Feb 2020 BMRC Bioinformatics Institute Thrombin-derived C-terminal fragments aggregate and scavenge bacteria and their proinflammatory products Jitka Petrolova, Ganna Petruk, Roland G. Huber, Eilish W. McBurnie, Mariena J. A. van der Plas, Peter J. Bond, Manoj Puthia, Artur Schmidtchen Journal of Biological Chemistry
25 Jan 2020 BMRC Bioinformatics Institute Multiscale modelling and simulation of viruses Jan K. Marzinek, Roland G. Huber, Peter J. Bond Current Opinion in Structural Biology
24 Dec 2019 BMRC Bioinformatics Institute Flavivirus Cross-Reactivity to Dengue Nonstructural Protein 1 Antigen Detection Assays Li Kiang Tan, Wing Yan Wong, Hui Ting Yang, Roland G. Huber, Peter J. Bond, Lee Ching Ng, Sebastian Maurer-Stroh, Hapuarachchige Chanditha Hapuarachchi Diagnostics
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
10 Oct 2019 BMRC Bioinformatics Institute Linker length affects photostability of protein-targeted sensor of cellular microviscosity Markéta Kubánková, Joseph E. Chambers, Roland G. Huber, Peter J. Bond, Stefan J. Marciniak, Marina K. Kuimova Methods and Applications in Fluorescence
19 Sep 2019 BMRC Bioinformatics Institute Molecular basis of dengue virus serotype 2 morphological switch from 29°C to 37°C Xin-Ni Lim, Chao Shan, Jan K. Marzinek, Hongping Dong, Thiam Seng Ng, Justing S. G. Ooi, Guntur Fibrianshah, Jiaqi Wang, Chandra S. Verma, Peter J. Bond, Pei-Yong Shi, Shee-Mei Lok PLOS Pathogens
27 Aug 2019 BMRC Bioinformatics Institute The structural basis for membrane assembly of immunoreceptor signalling complexes Namita Dube, Jan K. Marzinek, Robert C. Glen, Peter J. Bond Journal of Molecular Modeling
24 Jul 2019 BMRC Bioinformatics Institute Multiscale modeling of innate immune receptors: Endotoxin recognition and regulation by host defense peptides Daniel A. Holdbrook, Roland G. Huber, Jan K. Marzinek, Astrid Stubbusch, Artur Schmitchen, Peter J. Bond Pharmacological Research
26 Jun 2019 BMRC Bioinformatics Institute A T164S mutation in the dengue virus NS1 protein is associated with greater disease severity in mice Kitti Wing Ki Chan, Satoru Watanabe, Jocelyn Y. Jin, Julien Pompon, Don Teng, Sylvie Alonso, Dhanasekaran Vijaykrishna, Scott B. Halstead, Jan K. Marzinek, Peter J. Bond, Bo Burla, Federico Torta, Markus R. Wenk, Eng Eong Ooi, Subhash G. Vasudevan Science Translational Medicine
24 May 2019 BMRC Bioinformatics Institute Structure and subunit arrangement of Mycobacterial F1FO ATP synthase and novel features of the unique mycobacterial subunit δ Neelagandan Kamariah, Roland G. Huber, Wilson Nartey, Shashi Bhushan, Peter J. Bond, Gerard Gruber Journal of Structural Biology
29 Mar 2019 BMRC Bioinformatics Institute Structure mapping of dengue and Zika viruses reveals functional long-range interactions Roland G. Huber, Xin Ni Lim, Wy Ching Ng, Adelene Y. L. Sim, Hui Xian Poh, Yang Shen, Su Ying Lim, Karin B. Sundstrom, Xuyang Sun, Jong Ghut Aw, Horng Khit Too, Peng Hee Boey, Andreas Wilm, Tanu Chawla, Milly M. Choy, Lu Jiang, Paola Florez De Sessions, Xian Jun Loh, Sylvie Alonso, Martin Hibberd, Niranjan Nagarajan, Eng Eong Ooi, Peter J. Bond, October M. Sessions, Wan Yue Nature Communications
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
28 Feb 2019 BMRC Bioinformatics Institute The disordered plant dehydrin Lti30 protects the membrane during water-related stress by cross-linking lipids Anjali Gupta, Jan K. Marzinek, Damien Jefferies, Peter J. Bond, Pia Harryson, Thorsten Wohland Journal of Biological Chemistry
24 Jan 2019 BMRC Bioinformatics Institute Infectivity of Dengue Virus Serotypes 1 and 2 Is Correlated with E-Protein Intrinsic Dynamics but Not to Envelope Conformations Kamal Kant Sharma, Xin-Xiang Lim, Sarala Neomi Tantirimudalige, Anjali Gupta, Jan K. Marzinek, Daniel Holdbrook, Xin Ying Elisa Lim, Peter J. Bond, Ganesh S. Anand, Thorsten Wohland Structure
4 Jan 2019 BMRC Bioinformatics Institute Directing GDNF-mediated neuronal signaling with proactively programmable cell-surface saccharide-free glycosaminoglycan mimetics Shuting Cai, Daniel H. Lukamto, Jerry K. C. Toh, Roland G. Huber, Peter J. Bond, Joo-Eun Jee, Teck Chuan Lim, Pei Liu, Liwei Chen, Qianqian Vicky Qu, Su Seong Lee, Song-Gil Lee Chemical Communications
29 Nov 2018 BMRC Bioinformatics Institute Engineering an Osmosensor by Pivotal Histidine Positioning within Disordered Helices Madhubrata Ghosh, Loo Chien Wang, Roland G. Huber, Yufeng Gao, Leslie K. Morgan, Nikhil Kumar Tulsian, Peter J. Bond, Linda J. Kenney, Ganesh S. Anand Structure
21 Nov 2018 BMRC Bioinformatics Institute Mechanism of enhanced immature dengue virus attachment to endosomal membrane induced by prM antibody Melissa Wirawan, Guntur Fibriansah, Jan K. Marzinek, Xin Xiang Lim, Thiam Seng Ng, Adelene Y. L. Sim, Qian Zhang, Victor A. Kostyuchenko, Jian Shi, Scott A. Smith, Chandra S. Verma, Ganesh Anand, James E. Crowe Jr, Peter J. Bond, Shee-Mei Lok Structure
21 Nov 2018 BMRC Bioinformatics Institute Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody Melissa Wirawan, Guntur Fibriansah, Jan K. Marzinek, Xin Xiang Lim, Thiam-Seng Ng, Adelene Y. L. Sim, Qian Zhang, Victor A. Kostyuchenko, Jian Shi, Scott A. Smith, Chandra S. Verma, Ganesh Anand, James E. Jr Crowe, Peter J. Bond, Shee-Mei Lok Structure
14 Sep 2018 BMRC Bioinformatics Institute Single-molecule studies of flavivirus envelope dynamics: Experiment and computation Kamal Kant Sharma, Jan K. Marzinek, Sarala Neomi Tantirimudalige, Peter J. Bond, Thorsten Wohland Progress in Biophysics and Molecular Biology
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
24 Aug 2018 BMRC Bioinformatics Institute Facile saccharide-free mimetics that recapitulate key features of glycosaminoglycan sulfation patterns Song-Gil Lee, Teck Chuan Lim, Shuting Cai, Roland G. Huber, Peter J. Bond, Priscilla Xian Siew Chia, Siv Ly Khou, Shujun Gao, Su Seong Lee Chemical Science
20 Jul 2018 BMRC Bioinformatics Institute The architecture of the OmpC-MlaA complex sheds light on the maintenance of outer membrane lipid asymmetry in Escherichia coli Jiang Yeow, Kang Wei Tan, Daniel A. Holdbrook, Zhi-Soon Chong, Jan K. Marzinek, Peter J. Bond, Shu-Sin Chng Journal of Biological Chemistry
17 Jul 2018 BMRC Bioinformatics Institute Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides Rathi Saravanan, Daniel A. Holdbrook, Jitka Petrlova, Shalini Singh, Nils A. Berglund, Yeu Khai Choong, Sven Kjellstrom, Peter J. Bond, Martin Malmsten, Artur Schmidtchen Nature Communications
6 Jun 2018 BMRC Bioinformatics Institute Influence of pH on the activity of thrombin-derived antimicrobial peptides Daniel A. Holdbrook, Shalini Singh, Yeu Khai Choong, Jitka Petrlova, Martin Malmsten, Peter J. Bond, Navin Kumar Verma, Artur Schmidtchen, Rathi Saravanan Biochimica et Biophysica Acta (BBA) - Biomembranes
17 May 2018 BMRC Bioinformatics Institute A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 Pathway Roland G. Huber, Nils A. Berglund, Vasileios Kargas, Jan K. Marzinek, Daniel A. Holdbrook, Syma Khalid, Thomas J. Piggot, Artur Schmidtchen, Peter J. Bond Structure
19 Apr 2018 BMRC Bioinformatics Institute Evidence that TLR4 Is Not a Receptor for Saturated Fatty Acids but Mediates Lipid-Induced Inflammation by Reprogramming Macrophage Metabolism Graeme I. Lancaster, Katherine G. Langley, Nils Anton Berglund, Helene L. Kammoun, Saskia Reibe, Emma Estevez, Jacquelyn Weir, Natalie A. Mellett, Gerard Pernes, James R.W. Conway, Man K.S. Lee, Paul Timpson, Andrew J. Murphy, Seth L. Masters, Steve Gerondakis, Nenad Bartonicek, Dominik C. Kaczorowski, Marcel E. Dinger, Peter J. Meikle, Peter J. Bond, Mark A. Febbraio Cell Metabolism
12 Apr 2018 BMRC Bioinformatics Institute An Optical Technique for Mapping Microviscosity Dynamics in Cellular Organelles Joseph E. Chambers, Markéta Kubánková, Roland G. Huber, Ismael López-Duarte, Edward Avezov, Peter J. Bond, Stefan J. Marciniak, Marina K. Kuimova ACS Nano
6 Dec 2016 BMRC Bioinformatics Institute OmpA: A Flexible Clamp for Bacterial Cell Wall Attachment Firdaus Samsudin, Maite L. Ortiz-Suarez, Thomas J. Piggot, Peter J. Bond, Syma Khalid Structure
1 Nov 2016 BMRC Bioinformatics Institute Energetics and Dynamics Across the Bcl-2-Regulated Apoptotic Pathway Reveal Distinct Evolutionary Determinants of Specificity and Affinity Roland G. Huber, Stefan M. Ivanov, Jim Warwicker, Peter J. Bond Structure
1 Nov 2016 BMRC Bioinformatics Institute Hydrocarbons Are Essential for Optimal Cell Size, Division, and Growth of Cyanobacteria David J. Lea-Smith, Maite L. Ortiz-Suarez, Tchern Lenn, Dennis J. Nürnberg, Laura L. Baers, Matthew P. Davey, Lucia Parolini, Roland G. Huber, Charles A. R. Cotton, Giulia Mastroianni, Paolo Bombelli, Petra Ungerer, Tim J. Stevens, Alison G. Smith, Peter J. Bond, Conrad W. Mullineaux, Christopher J. Howe Plant Physiology
18 Oct 2016 BMRC Bioinformatics Institute Full-Length OmpA: Structure, Function, and Membrane Interactions Predicted by Molecular Dynamics Simulations Maite L. Ortiz-Suarez, Firdaus Samsudin, Thomas J. Piggot, Peter J. Bond, Syma Khalid Biophysical Journal
29 Sep 2016 BMRC Bioinformatics Institute Impairing Cohesin Smc1/3 Head Engagement Compensates for the Lack of Eco1 Function Roland G. Huber, Irina Kulemzina, Keven Ang, Alap P. Chavda, Sasikala Suranthran, Jun-Thing Teh, Dimitar Kenanov, Gaowen Liu, Giulia Rancati, Radoslaw Szmyd, Philipp Kaldis, Peter J. Bond, Dmitri Ivanov Structure
10 Aug 2016 BMRC Bioinformatics Institute The severity of hereditary porphyria is modulated by the porphyrin exporter and Lan antigen ABCB6 Yu Fukuda, Pak Leng Cheong, John Lynch, Cheryl Brighton, Sharon Frase, Vasileios Kargas, Evadnie Rampersaud, Yao Wang, Vijay G. Sankaran, Bing Yu, Paul A. Ney, Mitchell J. Weiss, Peter Vogel, Peter J. Bond, Robert C. Ford, Ronald J. Trent, John D. Schuetz Nature Communications
7 Jul 2016 BMRC Bioinformatics Institute Pushing the Envelope: Dengue Viral Membrane Coaxed into Shape by Molecular Simulations Jan K. Marzinek, Daniel A. Holdbrook, Roland G. Huber, Chandra Verma, Peter J. Bond Structure
16 Jun 2016 BMRC Bioinformatics Institute Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition Daniel A. Holdbrook, Roland G. Huber, Thomas J. Piggot, Peter J. Bond, Syma Khalid PLOS ONE
27 May 2016 BMRC Bioinformatics Institute Selective inhibitors of trypanosomal uridylyl transferase RET1 establish druggability of RNA post-transcriptional modifications Amy Cording, Michael Gormally, Peter J. Bond, Mark Carrington, Shankar Balasubramanian, Eric A. Miska, Beth Thomas RNA Biology
20 Jan 2016 BMRC Bioinformatics Institute Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and Experiment Jan K. Marzinek, Rajamani Lakshminarayanan, Eunice Goh, Roland G. Huber, Sadhana Panzade, Chandra Verma, Peter J. Bond Scientific Reports