2024

[15] "Graphite-Based Bio-Mimetic Nanopores for Protein Sequencing and Beyond" Chandan K. Das* and Maria Fyta, Small, 2024, 2407647, DOI:10.1002/smll.202407647 (*corresponding author)

[14] "A dynamic water channel affects O2 stability in [FeFe] hydrogenases" Claudia Brocks, Chandan K. Das, Jifu Duan, Shanika Yadav, Ulf-Peter Apfel, Subhasri Ghosh, Eckhard Hofmann, Martin Winkler, Vera Engelbrecht, Lars V. Schäfer and Thomas Happe, ChemSusChem., 2024, 17, e202301365    DOI:10.1002/cssc.202301365 (RUB press release )

2023

[13] ''Probing the General Base for DNA Polymerization in Telomerase: A Molecular Dynamics Investigation'' Chandan K. Das, Abhinav Gupta, and Nisanth N. Nair,  Phys. Chem. Chem. Phys.,  2023, 25,  14147-14157  DOI: 10.1039/D3CP00521F 

[12] "Epigenetic Marks Probed by a DNA Duplex Reader via a Well-Tempered Conformational Plasticity" Himanshu Singh, Chandan K. Das, Benjamin Buchmuller, Simone Epping, Lars V. Schäfer, Daniel Summerer, and Rasmus Linser, Nucleic Acids Res., 2023,  51(12),  6495–6506 DOI:10.1093/nar/gkad134  (Journal cover page article) 

[11] "Increasing the O2 Resistance of the [FeFe]-Hydrogenase CbA5H Through Enhanced Protein Flexibility" Andreas Rutz, Chandan K. Das, Andrea Fasano,  Jan Jaenecke, Shanika Yadav, Ulf Apfel, Vera Engelbrecht, Vincent Fourmond, Christophe Léger, Lars V. Schäfer, and Thomas Happe, ACS Catal., 2023, 13, 856-865 DOI:10.1021/acscatal.2c04031 (RUB press release )

[10] "Synthetic Glucose Channels: Size-selective Transmembrane Transport of Glucose Mediated by Porphyrin Box"  Hong-Guen Lee, Avinash Dhamija, Chandan K. Das, Kyeng  Min Park, Young-Tae Chang, Lars V. Schäfer, and Kimoon Kim, Angew. Chem. Int. Ed., 2023, 135,  e202214236 DOI:10.1002/ange.202214326

2022

[9] "Inhibition Mechanism of Class D Beta-Lactamases by Avibactam" Vaishali Thakkur**, Chandan K. Das** and Nisanth N. Nair, ACS Catal., 2022 12, 10338-10352 DOI:10.1021/acscatal.2c02693  (**Joint first author)

[8] "Remotely Controllable Supramolecular Rotor Mounted inside a Porphyrinic Cage" Avinash Dhamija, Chandan K. Das, Young Ho Ko, Younghoon Kim, Rahul Dev Mukhopadhyay, Anilkumar Gunnam, Xiujun Yu, In-Chul Hwang, Lars V. Schäfer, and Kimoon Kim, Chem., 2022, 8 (2), 543-556 DOI:10.1016/j.chempr.2021.12.008 (RUB press release) 

2021 

[7] "The CTPase Activity of ParB Determines the Size and Dynamics of Prokaryotic DNA Partition Complexes" M. Osorio-Valeriano, F. Altegoer, Chandan K. Das, W. Steinchen, G. Panis, L. Connolley, G. Giacomelli, H. Feddersen, L. Corrales-Guerrero, P. I. Giammarinaro, J. Hanümann, M. Bramkamp, P. H. Viollier, S. Murray, Lars V. Schäfer, G. Bange,  and M. Thanbichler, Mol. Cell, 2021, 81 (19), 3992-4007 DOI:10.1016/j.molcel.2021.09.004

[6] "Spectrally Resolved Estimation of Water Entropy in the Active Site of Human Carbonic Anhydrase II" Christopher Päslack, Chandan K. Das, Jürgen Schlitter and Lars V. Schäfer, J. Chem. Theory Comput., 2021, 17 (8), 5409-5418 DOI:10.1021/acs.jctc.1c00554 

2020 

[5] "The Active Site of a Prototypical “Rigid" Drug Target is Marked by Extensive Conformational Dynamics" Himanshu Singh, Chandan K. Das, Suresh K. Vasa, Kristof Grohe, Lars V. Schäfer and Rasmus Linser, Angew. Chem. Int. Ed., 2020, 59, 22916–22921 DOI:10.1002/anie.202009348  (Front piece article) 

[4] "Elucidating the Molecular Basis of Avibactam-Mediated Inhibition of Class-A Beta-Lactamases" Chandan K. Das and Nisanth N. Nair, Chem. Eur. J., 2020, 26, 9639 DOI:10.1002/chem.202001261  (Highlighted as Very Important Paper)

2019 

[3] "Fast Microsecond Dynamics of the Protein-Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy" Himanshu Singh, Suresh K. Vasa, Harish Jangra, Petra Rovó, Christopher Päslack, Chandan K. Das, Hendrik Zipse, Lars V. Schäfer and Rasmus Linser, J. Am. Chem. Soc., 2019, 141 (49), 19276-19288 DOI:10.1021/jacs.9b05311  (Journal cover page article) 

2018 

[2] "Molecular Insights into Avibactam Mediated Class C Beta-Lactamase Inhibition: Competition Between Reverse Acylation and Hydrolysis Through Desulfation" Chandan K. Das and Nisanth N. Nair, Phys. Chem. Chem. Phys., 2018, 20, 14482-14490 DOI:10.1039/C8CP01670D 

2017 

[1] "Hydrolysis of Cephalexin and Meropenem by New Delhi Metallo Beta-Lactamase: the Substrate Protonation Mechanism is Drug Dependent" Chandan K. Das and Nisanth N. Nair, Phys. Chem. Chem. Phys., 2017, 19, 13111-13121 DOI: 10.1039/C6CP08769H