Publications

21) Aparna G Nair* and Anjukandi Padmesh*, Insights into the Role of Sidechain Team Work in nDsbDOx/Red Proteins: Mechanism of Substrate Binding, Submitted, 2024.

20) Shyama Ramakrishnan* and Anjukandi Padmesh*,  Superoxo-Peroxo Interconversion in Ni-TMC Complexes: The Significance of Structure and Spin States, Under Revision. 2024.

19) Nayana E C*, Hafila K S, Manya Krishna and Anjukandi Padmesh*, Exceptional Stability of Ultrasmall Cubic Copper Metal Nanocluster - A Molecular Dynamics Study, Accepted, J. Mater. Chem. B, 12, 3901-3916, 2024. (Impact Factor = 7.000)

18) Aparna G Nair, Arathi Das, Nayana E C, Manash Pratim Sarmah and Anjukandi Padmesh*, Chemical Tailoring Assisted non-TADF to TADF Switching in Carbazole-Benzophenone Emitter - An In-silico Investigation, ChemPhysChem, e2023004, 2023. (Impact Factor = 3.520) 

17) Nayana E C, Aparna G Nair, and Anjukandi Padmesh*, Multifaceted Folding-Unfolding Landscape of TrpZip2 β-Hairpin and the Role of External Sub-pico-newton Mechanical Tensions, Phys. Chem. Chem. Phys, 25, 11093-11101, 2023. (Impact Factor = 3.945) [Selected as ‘back cover' 2023.]

16) Anjitha T, Nayana E C, Yahya Ismail, Anjukandi Padmesh* and Pradeepan Periyat*, 3D Mesoporous Polyindole Architectures for supercapacitor applications, J.Phys.Chem.C, 126, 40, 16965-16982, 2022. (Impact Factor = 4.177) 

15) Aparna G Nair, Perumalla, D. Sravanakumar and Anjukandi, Padmesh*, Disulfide Isomerization in nDsbD-DsbC Complex - Exploring an Internal Nucleophile Mediated Reaction Pathway, Accepted, ChemPhysChem, e202200320, 2022.  (Impact Factor = 3.520) 

14) Aparna G Nair, Perumalla, D. Sravanakumar and Anjukandi, Padmesh*, Towards Solvent Regulated Self-Activation of N-Terminal Disulfide Bond Oxidoreductase-D, Phys. Chem. Chem. Phys, 24, 7691 - 7699, 2022. (Impact Factor = 3.945)  

13) Gokul Govind, Nayana E C and Anjukandi, Padmesh*; An Account on the Stability of β-hairpin from B1 domain of Protein G, Journal of Biomolecular Structure & Dynamics, 40(23), 12841-12847, 2021. (Impact Factor = 4.4)

12) Perumalla, D. Sravanakumar; Govind, Gokul; Anjukandi, Padmesh*; Folding–Unfolding Dynamics of pH-Assisted Structures of S-Peptide, ChemistrySelect, 5, 1-9, 2020. (Impact Factor = 2.307)

11) P. Dopieralski, J. Ribas-Arino, P. Anjukandi, M. Krupicka and D. Marx; Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution, Nature Chemistry, 9, 164-170, 2017. (Impact Factor = 24.274)

10) Przemyslaw Dopieralski, Jordi Ribas-Arino, Padmesh Anjukandi, Martin Krupicka, and Dominik Marx; Force-induced Reversal of β-Eliminations: Stressed Disulfide Bonds in Alkaline Solution, Angew. Chem. Int. Ed., 55, 1304-1308, 2016. (Impact Factor = 16.823)

9) P. Anjukandi*, P. Dopieralski, J. Ribas-Arino and D. Marx; The Effect of Tensile Strength on the Conformational Free Energy Landscape of Disulde Bonds: PLoS One, 9 (10) e108812, 2014. (Impact Factor = 3.752)

8) P. Dopieralski, J. Ribas-Arino, P. Anjukandi, M. Krupicka, J. Kiss, and D. Marx; The Janus-faced role of external forces in mechanochemical disulfide bond cleavage, Nature Chemistry, 5, 685-691, 2013 (Impact Factor = 24.274)

7) Przemyslaw Dopieralski, Padmesh Anjukandi, Jordi RibasArino and Dominik Marx; Theoretical Mechano-chemistry: Stressing Molecules in the "Virtual Lab", inSiDE, 10, 48-52, 2012.

6) Renji R. Reghu, Hari Krishna Bisoyi, Juozas V. Grazuleviciu, Padmesh Anjukandi, Valentas Gaidelis and Vygintas Jankauskas; Air stable electron-transporting and ambipolar bay substituted perylene bisimides, Journal of Materials Chemistry, 21, 7811-7819, 2011. (Impact Factor = 6.626, 2013)

5) Przemyslaw Dopieralski, Padmesh Anjukandi, Matthias Rckert, Motoyuki Shiga, Jordi Ribas-Arino and Dominik Marx; On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores, Journal of Materials Chemistry, 21, 8309-8316, 2011. (Impact Factor = 6.626, 2013)

4) Abdenor Fellah, Padmesh Anjukandi, Yacine Hemar, Don Otter and Martin A.K. Williams; Towards polysaccharide handles for single molecule experiments: Spectroscopic evidence for the selective covalent coupling of terminal sugar residues to desired substrates, Carbohydrate Polymers, 86(1), 105--111, 2011. (Impact Factor = 11.2)

3) Padmesh Anjukandi, Gerald G. Pereira and Martin A.K. Williams; Langevin Dynamics Simulations Reveal Biologically Relevant Folds Arising from the Incorporation of a Torsional Potential, Journal of Theoretical Biology, 265(3), 245--249, 2010. (Impact Factor = 2.691)

2) Abdenor Fellah, Padmesh Anjukandi, Mark Waterland and Martin A.K. Williams; Determining the degree of methylesterication of pectin by ATR/FT-IR : methodology optimisation and comparison with theoretical calculations, Carbohydrate Polymers, 78(4), 847--853, 2009. (Impact Factor = 11.2)

1) M.A.K. Williams, A.T. Marshall, P. Anjukandi and R. G. Haverkamp; Investigation of the effects of fine structure on the nanomechanical properties of pectin, Physical Review E, 76, 021927, 2007. (Impact Factor = 2.707) [This article was selected for 2007 issues of Virtual Journal of Nanoscale Science and Technology and Virtual Journal of Biological Physics Research which is published by the American Institute of Physics and the American Physical Society in cooperation with numerous other societies and publishers].