• Medhavi Vishwakarma, Jacopo Di Russo, Dimitri Probst, Ulrich S. Schwarz, Tamal Das and Joachim P. Spatz, “Mechanical interactions among followers determine the emergence of leaders in migrating epithelial cell collectives,” Nature Communicationsvolume 9, Article number: 3469 (2018) .

  • Navjeet Ahalawat and Jagannath Mondal, “Assessment and optimization of collective variables for protein conformational landscape: GB1 β-hairpin as a case study,” The Journal of Chemical Physics 149, 094101 (2018). (Featured Article) (Highlighted in AIP)

  • Indrajit Tah, Shiladitya Sengupta, Srikanth Sastry, Chandan Dasgupta, and Smarajit Karmakar, “Glass Transition in Supercooled Liquids with Medium-Range Crystalline Order,” Phys. Rev. Lett. 121, 085703.

  • Bhanu Prasad Bhowmik, Indrajit Tah, and Smarajit Karmakar, “Non-Gaussianity of the van Hove function and dynamic-heterogeneity length scale,” Phys. Rev. E 98, 022122.

  • Rajsekhar Das, Indrajit Tah and Smarajit Karmakar, “Possible universal relation between short time β-relaxation and long time α-relaxation in glass-forming liquids,” The Journal of Chemical Physics 149, 024501 (2018).

  • Li S, Xu C, Fu Y, Lei P, Yao Y, Zhang Y, Washburn M P, Florens L, Jaiswal M, Wu M and Mohan M., “DYRK1A interacts with Histone Acetyl Transferase p300 and CBP and localizes to enhancers,” Nucleic Acid Research.

  • Balakrishnan S S, Basu U, Shinde D, Thakur R, Jaiswal M and Raghu P., “Regulation of PI4P levels by PI4KIIIa during G-protein coupled PLC signaling in Drosophila photoreceptors,” J. Cell Sci. 3;131(15).

  • Singhal N and Jaiswal M, “Pathways to Neurodegeneration: Lessons learnt from unbiased genetic screens in Drosophila,” J Genet.  Jul;97(3):773-781.

  • 4. Li-Kroeger D, Kanca O, Lee P-T, Cowan S, Lee M, Jaiswal M, Salazar J L, He Y C and Bellen, H J., “An expanded toolkit for gene tagging based on MiMIC and scarless CRISPR tagging in Drosophila,” Elife e38709.

  • Shivnarayan Dhuppar and Aprotim Mazumder, “Measuring cell cycle-dependent DNA damage responses and p53 regulation on a cell-by-cell basis from image analysis,” 10.1080/15384101.2018.1482136.

  • Nikhita Pasnuri, Purnati Khuntia and Aprotim Mazumder, “Single transcript imaging to assay gene expression in wholemount Drosophila melanogaster tissues,” j.mod.2018.08.006.

  • Sudeshna Patra, Anand B. Puthirath, T. V. Vineesh, Sreekanth Narayanaru, Bhaskar Soman, Shruti Suriyakumar, A. Manuel Stephan, and T. N. Narayanan, “On the Development of a Proton Conducting Solid Polymer Electrolyte Using Poly(ethylene oxide),” Sustainable Energy & Fuels 2, 1870-1877 (2018).

  • Mrinmoy Mukherjee and Jagannath Mondal, “Heterogenous Impacts of Protein-Stabilising Osmolytes on Hydrophobic Interaction” Journal of Physical Chemistry B, 2018, 122(27) 6922-6930.

  • S. Dey, P. Bielytskyi, D. Graesing, A. Das, R. Kundu, J. Matysik, S. Maiti, P. K. Madhu, “Precise in situ photo-induced pH modulation during NMR spectrometr” Chem. Phys. Lett. 2018.

  • Pavlo Bielytskyi, Daniel Gräsing, Kaustubh R. Mote, Karthick Babu Sai Sankar Gupta, Shimon Vega, P.K. Madhu, A. Alia, Joerg Matysik, “13C-1H transfer of light-induced hyperpolarization allows for selective detection of protons in frozen photosynthetic reaction center” J. Magn. Reson. 293, 82-91, 2018.

  • Anku Guha, Thazhe Veettil Vineesh, Archana Sekar, Sreekanth Narayanaru, Mihir Sahoo, Saroj Nayak, Sudip Chakraborty, and T. N. Narayanan, “Mechanistic Insight in to Enhanced Hydrogen Evolution Reaction Activity of Ultra-Thin h-BN Modified Pt Electrodes” ACS Catalysis 8, 6636-6644 (2018)..

  • Mondal J, Ahalawat N, Pandit S, Kay LE, Vallurupalli P, “Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme” PLOS Computational Biology,14,5,e1006180(2018).

  • Debabrata Dhara, Pankaj Kalita, Subhadip Mondal, Ramakirushnan Suriya Narayanan, Kaustubh R. Mote, Volker Huch, Michael Zimmer, Cem B. Yildiz, David Scheschkewitz, Vadapalli Chandrasekhar and Anukul Jana , “Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination “ Chem. Sci., 2018, 9, 4235.

  • Parswa Nath, Saswati Ganguly, Jürgen Horbach, Peter Sollich, Smarajit Karmakar, and Surajit Sengupta, “On the existence of thermodynamically stable rigid solids” PNAS April 19, 2018. 201800837.

  • Sumit Bawari, Nisheal M. Kaley, Shubhadeep Pal, Vineesh T V, Shamasree Ghosh, Jagannath Mondal, and *T. N. Narayanan, “On the Hydrogen Evolution Reaction Activity of Graphene-hBN van der Waals Heterostructures” Physical Chemistry Chemical Physics*(2018).

  • Sumit Bawari,*T. N. Narayanan* and Jagannath Mondal, “Atomistic Elucidation of Sorption Processes in Hydrogen Evolution Reaction on a van der Waals Heterostructure” *The Journal of Physical Chemistry C*(2018).

  • Y Lyu, N Xiang, J Mondal, X Zhu, G Narsimhan, “Characterization of Interactions between Curcumin and Different Types of Lipid Bilayers by Molecular Dynamics Simulation” The Journal of Physical Chemistry B 122 (8), 2341-2354

  • Kong Ooi Tan, Vipin Agarwal, Nils-Alexander Lakomek, Susanne Penzel, Beat H.Meier and Matthias Ernst, “Efficient low-power TOBSY sequences for fast MAS” Solid State Nuclear Magnetic Resonance, Volume 89, February 2018, Pages 27-34

  • Rakesh Kumar, Subhadeep Das, Ganesh M Mohite, Saroj K Rout, Saayak Halder, Narendra Nath Jha, Soumik Ray, Surabhi Mehra, Vipin Agarwal and Samir K. Maji, “Cytotoxic oligomers and fibrils trapped in a gel-like state of α-synuclein assemblies” ANGEWANDTE CHEMIE INTERNATIONAL EDITION (2018)

  • Saurish Chakrabarty, Indrajit Tah, Smarajit Karmakar and Chandan Dasgupta, “Block Analysis for the Calculation of Dynamic and Static Length Scales in Glass-Forming Liquids” Phys. Rev. Lett. 119, 205502 (2018)

  • Debdeep Mandal, Debabrata Dhara, Avijit Maiti, Lukas Klemmer, Dr. Volker Huch, Dr. Michael Zimmer, Prof. Henry S Rzepa, Prof. Dr. David Scheschkewitz, Dr. Anukul Jana, “Mono- and Dicoordinate Germanium(0) as a Four-Electron Donor” 10.1002/chem.201800071 (2018)

  • Mrinmoy Mukherjee and Pushpita Ghosh, “Growth-mediated autochemotactic pattern formation in self-propelling bacteria” PHYSICAL REVIEW E 97, 012413 (2018)

  • T. Singha and M. Barma, “Time evolution of intermittency in the passive slider problem” Phys. Rev. E 97, 010105(R) (2018)

  • Kaustubh R. Mote, P. K. Madhu, “Simultaneous homonulcear and heteronuclear spin-decoupling in magic-angle spinning solid-state NMR” Solid-State Nucl. Magn. Reson, 2018

  • P. K. Nayak, M. Sendner, B. Wenger, Z. Wang, Kshama Sharma, A. J. Ramadan, R. Lovrincic, A. Pucci, P. K. Madhu, H. J. Snaith, “Impact of Bi3+ heterovalent doping in organic-inorganic metal halide perovskite crystals” J. Am. Chem. Soc. 140, 574-577, 2018

  • Angana Ray, Navjeet Ahalawat and Jagannath Mondal, “Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E” Biophysical Journal, Volume 113, Issue 12, 19 December 2017, Pages 2682-2694

  • Saurish Chakrabarty, Indrajit Tah, Smarajit Karmakar and Chandan Dasgupta, “Block Analysis for the Calculation of Dynamic and Static Length Scales in Glass-Forming Liquids” Phys. Rev. Lett. 119, 205502 (2018)

  • Debdeep Mandal, Debabrata Dhara, Avijit Maiti, Lukas Klemmer, Dr. Volker Huch, Dr. Michael Zimmer, Prof. Henry S Rzepa, Prof. Dr. David Scheschkewitz, Dr. Anukul Jana, “Mono- and Dicoordinate Germanium(0) as a Four-Electron Donor” 10.1002/chem.201800071 (2018)

  • Mrinmoy Mukherjee and Pushpita Ghosh, “Growth-mediated autochemotactic pattern formation in self-propelling bacteria” PHYSICAL REVIEW E 97, 012413 (2018)

  • T. Singha and M. Barma, “Time evolution of intermittency in the passive slider problem” Phys. Rev. E 97, 010105(R) (2018)

  • Kaustubh R. Mote, P. K. Madhu, “Simultaneous homonulcear and heteronuclear spin-decoupling in magic-angle spinning solid-state NMR” Solid-State Nucl. Magn. Reson, 2018

  • P. K. Nayak, M. Sendner, B. Wenger, Z. Wang, Kshama Sharma, A. J. Ramadan, R. Lovrincic, A. Pucci, P. K. Madhu, H. J. Snaith, “Impact of Bi3+ heterovalent doping in organic-inorganic metal halide perovskite crystals” J. Am. Chem. Soc. 140, 574-577, 2018

  • Angana Ray, Navjeet Ahalawat and Jagannath Mondal, “Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E” Volume 113, Issue 12, 19 December 2017, Pages 2682-2694

  • Pankaj Popli, Saswati Ganguly and Surajit Sengupta, “Translationally invariant colloidal crystal templates” Soft Matter, 2017, DOI: 10.1039/C7SM01877K

  • T. V. Vineesh, Archana Sekar,Sivamathini Rajappa, Shudhdeep Pal, Subbiah Alwarappan, and T. N. Narayanan, “Non-Precious Metal/Metal Oxide & Nitrogen Doped Reduced Graphene Oxide based Alkaline Water Electrolysis Cell” * ChemCatChem 9, 4295-4300 (2017).

  • Soumya Vinod, Chandra Sekhar Tiwary, Atanu Samanta, Sehmus Ozden, T. N. Narayanan, Robert Vajtai, Vipin Agarwal, A.K.Singh, George John, and P. M. Ajayan, “Graphene Oxide Epoxy (GO-xy): GO as Epoxy Adhesive by Interfacial Reaction of Functionalities” Advanced Materials Interfaces 124, 576-583 (2017).

  • Navdeep Rana, Pushpita Ghosh, and Prasad Perlekar, “Spreading of nonmotile bacteria on a hard agar plate: Comparison between agent-based and stochastic simulations” Phys. Rev. E 96, 052403 (7 Nov 2017)

  • Pushpita Ghosh and Herbert Levine, “Morphodynamics of a growing microbial colony driven by cell death” Phys. Rev. E 96, 052404 (8 Nov 2017)

  • M. G. Jain, K. N. Sreedevi, A. Equbal, P. K. Madhu, V. Agarwal, J. Magn. Reson, “Refocusing pulses: A strategy to improve efficiency of phase-modulated heteronuclear decoupling schemes in MAS solid-state NMR” Journal of Magnetic Resonance Volume 284, November 2017, Pages 59-65

  • Sudeshna Patra, T V Vineesh, and T. N. Narayanan, “Enhanced Viscoelastic Properties of Graphene Oxide Membranes” Carbon 124, 576-583 (2017)

  • Shauri Chakraborty, Sakuntala Chatterjee, and Mustansir Barma, “Ordered phases in coupled nonequilibrium systems: Dynamic properties” Phys. Rev. E 96, 022128 (2017)

  • Shauri Chakraborty, Sakuntala Chatterjee, and Mustansir Barma, “Ordered phases in coupled nonequilibrium systems: Static properties” Phys. Rev. E 96, 022127 (2017)

  • Bappaditya Chandra, Debanjan Bhowmik, Barun Kumar Maity, Kaustubh R. Mote, Debabrata Dhara, Ravindra Venkatramani, Sudipta Maiti, Perunthiruthy K. Madhu, “Major Reaction Coordinates Linking Transient Amyloid-β Oligomers to Fibrils Measured at Atomic Level” Biophysical Journal, Volume 113, Issue 4, 22 August 2017, Pages 805–816

  • S Ray, A Maitra, A Biswas, S Panjikar, J Mondal, R Anand, “Functional Insights into the Mode of DNA and Ligand Binding of the TetR Family Regulator TylP from Streptomyces fradiae” Journal of Biological Chemistry, jbc. M117. 788000

  • Mukul G. Jain, G. Rajalakshmi, Asif Equbal, Kaustubh R. Mote, Vipin Agarwal and P. K. Madhu, “Sine-squared shifted pulses for recoupling interactions in solid-state NMR” The Journal of Chemical Physics 146, 244201 (2017)

  • Johannes Hellwagner, Kshama Sharma, Kong Ooi Tan, Johannes J. Wittmann, Beat H. Meier, P. K. Madhu and Matthias Ernst, “Optimizing symmetry-based recoupling sequences in solid-state NMR by pulse-transient compensation and asynchronous implementation” The Journal of Chemical Physics 146, 244202 (2017)

  • Ronen Berkovich, Jagannath Mondal, Inga Paster†, and B. J. Berne, “Simulated Force Quench Dynamics Shows GB1 Protein Is Not a Two State Folder” J. Phys. Chem. B, 2017, 121 (20), pp 5162–5173

  • Pratyush Tiwary, Jagannath Mondal, B. J. Berne, “How and when does an anticancer drug leave its binding site?” Science Advances 31 May 2017: Vol. 3, no. 5, e1700014

  • Anand B. Puthirath, Sudeshna Patra, Shubhadeep Pal, Manoj M., Aravind Puthirath Balan, Jayalekshmi S. and Narayanan Tharangattu N, “Transparent flexible lithium ion conducting solid polymer electrolyte” J. Mater. Chem. A, 2017, DOI: 10.1039/C7TA02182H

  • Mukul G. Jain, Daniela Lalli, Jan Stanek, Chandrakala Gowda, Satya Prakash, Tom S. Schwarzer, Tobias Schubeis, Kathrin Castiglione, Loren B. Andreas, P. K. Madhu, Guido Pintacuda and Vipin Agarwal, “Selective 1H- 1H Distance Restraints in Fully Protonated Proteins by Very Fast Magic-Angle Spinning Solid-State NMR” J. Phys. Chem. Lett. (2017) acs.jpclett.7b00983–7. doi:10.1021/acs.jpclett.7b00983.

  • Ravi K. Biroju, Deya Das, Rahul Sharma, Shubhadeep Pal, Larionette P. L. Mawlong, Kapil Bhorkar, P. K. Giri, Abhishek K. Singh, and Tharangattu N. Narayanan, “Hydrogen Evolution Reaction Activity of Graphene–MoS2 van der Waals Heterostructures” ACS Energy Lett., 2017, 2, pp 1355–1361

  • Bappaditya Chandra, Venus Singh Mithu, Debanjan Bhowmik, Anand Kant Das, Bankanidhi Sahoo, Sudipta Maiti, and Perunthiruthy K. Madhu, “Curcumin Dictates Divergent Fates for the Central Salt Bridges in Amyloid-β40 and Amyloid-β42 Biophysical Journal. 112, 1597–1608, April 25, (2017 )

  • DeepshikhaVerma, Aruna Murmu, Samudrala Gourinath, Alok Bhattacharya and Kandala V. R. Chary, “Structure of Ca 2+ -binding protein-6 from Entamoeba histolytica and its involvement in trophozoite proliferation regulation” PPATHOGENS-D-16-02743R1 (2017)



For previous publications, please refer Annual Reports