25. G. Ramachandran et al., "The first HyDRA challenge for computational vibrational spectroscopy."   Phys. Chem. Chem. Phys., 2023, 25, 22089. 

24.  G. Ramachandran, Yao Xu,  "Understanding the Energetic Components Influencing the Thermodynamic Quantities of Carbonic Anhydrase Protein upon Ligand Binding" ChemistrySelect, 22, e202200024. 

23.  D. Elumalai, G. Ramachandran, S. Leelakrishnan, G. Nachimuthu, T. Kannan, T. P.  Paramasivam, K. Jayabal “InCl 3 - Assisted Eco-Friendly Approach for N-Fused 1,4- Dihydropyridine Scaffolds via Ring Opening Michael Addition of Cyclic Nitroketene and Iminocoumarin: Synthesis and DFT Studies” ChemistrySelect 2018, 3, 2070-2079. https://doi.org/10.1002/slct.201702718

22.   A. Pecina, J. Brynda, L. Vrzal, G. Ramachandran, M. Horejsi, S. M. Eyrilmez, Jan Rezac, Martin Lepsik, Pavlina Rezacova, Pavel Hobza, Pavel Majer, Vaclav Veverka, Jindrich Fanfrlik “Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes” ChemPhysChem. 2018, 19, 873-879.  DOI: 10.1002/cphc.201701104 

  21. J. Frydrych, J. Skácel, M. Šmídková, H. Mertlíková-Kaiserová, M. Dračínský, Ramachandran G., M. Lepšík, M. Soto-Velasquez, V. J. Watts, Z. Janeba, “Synthesis of α‐branched acyclic nucleoside phosphonates as potential inhibitors of bacterial adenylate cyclases” ChemMedChem. 2018, 13, 199-206. https://doi.org/10.1002/cmdc.201700715 

20. Ramachandran G. “Probing the Communication of deoxythymidine triphosphate in HIV-1 Reverse Transcriptase by Communication Maps and Interaction Energy Studies.” Phys. Chem. Chem. Phys. 2017, 19, 29608-29616.https://doi.org/10.1039/C7CP06386E 

19.  Ramachandran G. “Computational Study to Understand the Energy Transfer Pathways within Amicyanin.” Journal of Molecular Graphics and Modelling." 2017, 78, 88-95. https://doi.org/10.1016/j.jmgm.2017.09.023 

18. Hari Krishnan, Ramachandran G., Ramaraj, R. C. “Controlled, Sequential approach to Synthesize Sterogenic Methanes via In-situ Generated Reactive Intermediates” ChemistrySelect 1, 2016, 3022. https://doi.org/10.1002/slct.201600650 

17.  Sunil R., Praveen S., Ranjeet K., Ashish T. K., Jiří Hostaš, Ramachandran G., Pavel Hobza “Experimental and Theoretical Study on Assessing the Conformational Stability of Polymethylene Bridged Heteroaromatic Dimers: A Case of Unprecedented Folding” Crystal Growth and Design, 2016, 16, 1176-1180. https://doi.org/10.1021/acs.cgd.5b01807 

16.  Susanta Halder, Ramachandran G., Pavel Hobza “A comparison of ab-initio Quantum- Mechanical and Experimental D0 Binding Energies for Eleven H-Bonded and Eleven Dispersion-Bound Complexes” , PCCP, 2015, 17, 26645-26652. https://doi.org/10.1039/C5CP04427H

15. Jiří Hostaš, Dávid Jakubec, Roman A. Laskowski, Ramachandran G., Jan Řezáč, Jiří Vondrášek, Pavel Hobza “Representative Amino Acid Side Chain Interactions in Protein - DNA complexes. A Comparison of Highly Accurate Correlated ab initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems”, J. Chem. Theory Comput. 2015, 11, 4086-4092. https://doi.org/10.1021/acs.jctc.5b00398 

14.  Ashish T.K., Priyanka S., Ved P. S. Praveen. S., Pankaj S., Ramachandran G., Hobza P., “Selective induced polarization through electron transfer in non-polar substrates”, New Journal of Chemistry, 2014, 38, 4885-4892. https://doi.org/10.1039/C4NJ00679H 

13.  Johnson K. A., Ramachandran G., Leitner D. M., "Communication Maps: Exploring Energy Transport Through Proteins and Water" Israel Journal of Chemistry, 2014, 54, 1065 - 1073. https://doi.org/10.1002/ijch.201300139

12. Ramachandran G. “Normal Modes and Duschinsky Mixing of Ground and Excited State Vibrations of the Green Fluorescent Protein Chromophore” Chem. Phys. Lett. 2013, 587, 61-67.  https://doi.org/10.1016/j.cplett.2013.09.040

11. Yao X., Ramachandran G., Leitner D. M.,”The dielectric response to photoexcitation of GFP: A molecular dynamics study” Chem. Phys. Lett. 2013, 564, 78-82. https://doi.org/10.1016/j.cplett.2013.02.002 

10. Yao X., Ramachandran G., Leitner D. M.,”Analysis of water and hydrogen bond dynamics at the surface of antifreeze protein” J. At. Mol. and Optical Phys. 2012, 2012, Article ID 125071. https://doi.org/10.1155/2012/125071 

09.  Ramachandran G., Leitner D. M.,”Dielectric response and vibrational energy relaxation in photoactive yellow protein: a molecular dynamics simulation study” Chem. Phys. Lett, 2011, 516, 102-105. https://doi.org/10.1016/j.cplett.2011.09.066 

08. Ramachandran G., ”Vibrational Spectra of Cyclooctatetraene alkali metal complexes [C8H8M2 (M= Na,K)]” Vibrational Spectroscopy, 2011, 57, 288-293. https://doi.org/10.1016/j.vibspec.2011.09.004 

07.  Ramachandran G., Johnson K. A., Leitner D. M., ”Communication maps computed for homodimeric hemoglobin: Computational study of water mediated energy transport in proteins” J. Chem. Phys. 2011, 135, 065103-10. (Editor's choice 2011, also selected as one among the outstanding articles to celebrate 80th anniversary of The Journal of Chemical Physics). https://doi.org/10.1063/1.3623423 

06. Ramachandran G., Yao X., Leitner D. M., ”Dynamics of water confined in proteins: A molecular dynamics simulation study of interfacial waters in a dimeric Hemoglobin” J. Phys. Chem. B 2010, 114, 16989-16996. https://doi.org/10.1021/jp109173t

05.  Diedrich A. S., Ozgur B., Stefen F., Benjamin P.B., Ramachandran G., Gerard W. S.,Leitner D. M., and Martina H. ”Rattling in the cage: Ions as probes of sub-picosecond water network dynamics”. J. Am. Chem. Soc. 2009, 131, 18512. https://doi.org/10.1021/ja9083545

04. Ramachandran G., Manogaran S., ”Vibrational spectra of triamantane X18H24 , isotetramantane X22 H28 and cyclohexamantane X26 H30 (X = C, Si, Ge, Sn) : A theoretical study”. J. Mol. Struct. Theochem, 2007, 816, 31. https://doi.org/10.1016/j.theochem.2007.03.038 

03.  Ramachandran G., Manogaran S., ”Vibrational spectra of adamantanes X10H16 and diamantanes X14H20 (X=C, Si, Ge, Sn): A theoretical study”. J. Mol. Struct. Theochem, 2006, 766, 125. https://doi.org/10.1016/j.theochem.2006.03.025

02. Ramachandran G., Manogaran S., ”Vibrational Spectra of C20H20 : A theoretical study”. J. Mol. Struct. Theochem, 2005, 730, 171. https://doi.org/10.1016/j.theochem.2005.04.006 

01.  Ramachandran G., Manogaran S., ”Vibrational Spectra of cubane and azacubane: a theoretical study”. J. Mol. Struct. Theochem, 2005, 719, 7. https://doi.org/10.1016/j.theochem.2005.01.008 

Conference Publication:

01.   D. A. Schmidt, O. Birer, S. Funkner, B. P. Born, Ramachandran G., G. W. Schwaab, “Using rattling ions to proble sub-ps water network dynamics” Infrared Millimeter and Terahertz Waves (IRMMW-THz), 2010, p1-2, 35th International Conference. Rome, Italy, 5 - 10 September 2010; 2010. DOI: 10.1109/ICIMW.2010.5612708