1

Rathod, A. K., Chavda, D. and Manna, M*, Phase transition and phase separation in realistic thylakoid lipid membrane of marine algae in all-atom simulations. Journal of Chemical Information and Modeling (2023), 63 (11): 3328-3339. (impact factor 6.162). DOI: https://doi.org/10.1021/acs.jcim.2c01614 Featured as the front cover of the journal

2

Rathod, A. K., Poojari, C. S. and Manna, M.*, Is lipid specificity key to the potential antiviral activity of mouthwash reagent chlorhexidine against SARS-CoV-2?. Membranes (2022), 12 (6): 616 (impact factor 4.562). DOI: https://doi.org/10.3390/membranes12060616

3

Serdiuk, T., Manna, M., Zhang, C., Mari, S.A., Kulig, W., Pluhackova, K., Kobilka, B.K., Vattulainen, I. and Müller, D.J., A cholesterol analog stabilizes the human β2-adrenergic receptor nonlinearly with temperature. Science Signaling (2022), 15 (737): p.eabi7031. (impact factor 9.52). DOI: https://doi.org/10.1126/scisignal.abi7031 Featured as the front cover of the journal

4

Gupta, A. R., Chavda, D., Mondal, M., Manna, M. and Sharma, S., Strategic design of advanced sustainable Quaternized poly (zirconyl dimethacrylate-co-vinyl imidazole) microsphere as a potential adsorbent for the mitigation of fluoride from aqueous solution. Journal of Water Process Engineering (2022), 50: 103290. (impact factor 7.34). DOI: https://doi.org/10.1016/j.jwpe.2022.103290

5

Manna, M.* and Murarka*, R. K. M, Polyunsaturated fatty acid modulates membrane-bound monomeric α-synuclein by modulating membrane microenvironment through preferential interactions, ACS Chemical Neurosciences (2021), 12 (4): 675-688  (impact factor 5.780). DOI: https://doi.org/10.1021/acschemneuro.0c00694

6

Manna, M., Nieminen, T. and Vattulainen, I. Understanding the role of lipids in signaling through atomistic and multiscale simulations of cell membranes, Annual Review of Biophysics  (2019), 48: 421-439 (impact factor 19.76). DOI: https://doi.org/10.1146/annurev-biophys-052118-115553

7

Manna, M.* and Murarka, R. K. Characterization of conformational ensemble of C-terminally truncated α-synuclein in aqueous solution by atomistic molecular dynamics simulations, Journal of the Indian Chemical Society (2019), 96: 991-1002 (impact factor 0.24).  Link: http://indianchemicalsociety.com/portal/uploads/journal/July%2026.pdf

8

Mobarak E.; Haversen, L.; Manna, M.; Levin, M.; Perkins, R.;  Vattulainen, I.;  Rog, T.; and Jan, B. Glucosylceramide modifies the LPS-induced inflammatory response in macrophages and the orientation of the LPS/TLR4 complex in silico, Scientific Reports (2018), 8:13600. (impact factor 4.996). DOI: https://doi.org/10.1038/s41598-018-31926-0

9

Manna, M.; Javanainen, M.; Monne, H. M.-S.; Gabius, H. J.; Rog, T.; and Vattulainen, I. Long-chain GM1 gangliosides alter transmembrane domain registration through interdigitation. BBA-Biomembranes (2017), 1859 (5): 870-878 (impact factor 4.019). DOI: https://doi.org/10.1016/j.bbamem.2017.01.033

10

Guixà-González, R.; Albasanz, J. L.; Rodriguez-Espigares, I.; Pastor, M.; Sanz, F.; Martí-Solano, M.; Manna, M.; Martinez-Seara, H.; Hildebrand, P., Martin, M. and Selent, J. Membrane cholesterol access into a G-protein- coupled receptor. Nature Communications (2017), 8: 14505. (impact factor 17.69). DOI: https://doi.org/10.1038/ncomms14505

11

Manna, M.; Niemelä, M.; Tynkkynen, J.; Javanainen, M.; Kulig, W.; Müller, D. J.; Rog, T. and Vattulainen, I. Mechanism of allosteric regulation of β₂-adrenergic receptor by cholesterol. eLife (2016), 5:e18432. (impact factor 8.713). DOI: https://doi.org/10.7554/eLife.18432

12

Manna, M.; Kulig, W.; Javanainen, M.; Tynkkynen, J.;Hensen, U.; Müller, D. J.; Rog, T. and Vattulainen, I. How to minimize artifacts in atomistic simulations of membrane proteins, whose crystal structure is heavily engineered: β2-adrenergic receptor in the spotlight. Journal of Chemical Theory and Computation (2015), 11 (7): 3432-3445 (impact factor 6.578). DOI: http://dx.doi.org/10.1021/acs.jctc.5b00070

13

Basu, I.; Manna, M. and Mukhpadhyay, C. Insights into the behavioral difference of water in the presence of GM1. FEBS Letters (2015), 589 (24): 3887-3892 (impact factor 4.124). DOI: https://doi.org/10.1016/j.febslet.2015.11.014

14

Manna, M.; Rog, T. and Vattulainen, I. The challenges of understanding glycolipid functions: An open outlook based on molecular simulations. BBA-Molecular and Cell Biology of Lipids (2014), 1841 (8): 1130-1145 (impact factor 5.228). DOI: https://doi.org/10.1016/j.bbalip.2013.12.016

15

Neuvonen, M.; Manna, M.; Mokkila, S.; Javanainen, M.; Rog, T.; Liu, Z.; Bittman, R.; Vattulainen, I. and Ikonen, E. Enzymatic oxidation of cholesterol: properties and functional effects of cholestenone in cell membranes. PLoS ONE (2014), 9 (8):e103743. (impact factor 3.752). DOI: https://doi.org/10.1371/journal.pone.0103743

16

Lajunen, T.; Kontturi, L.-S.; Viitala, L.; Manna, M.; Cramariuc, O.; Róg, T.; Bunker, A.; Laaksonen, T.; Viitala, T.; Murtomäki, L.; Urtti, A. Indocyanine green-loaded liposomes for light-triggered drug release. Molecular Pharmaceutics (2016), 13 (6): 2095-2107. (impact factor 5.364).  DOI:10.1021/acs.molpharmaceut.6b00207

17

Orłowski, A.; Róg, T.; Paavilaine, S.; Manna, M.; Heiskanen, I.; Backfolk, K.; Timonen, J. and Vattulainen, I. How endoglucanase enzymes act on cellulose nanofibrils: Role of amorphous regions revealed by atomistic simulations. Cellulose (2015), 22 (5):2911-2925 (impact factor 6.132). DOI:10.1007/s10570-015-0705-0

18

Kulig, W.; Jurkiewicz, P.; Olżyńska, A.; Tynkkynen, J.; Javanainen, M.; Manna, M.; Rog, T.; Hof, M.; Vattulainen, I. and Jungwirth, P. Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate. BBA-Biomembranes (2015), 1848 (2): 422-432. (impact factor 4.019). DOI: https://doi.org/10.1016/j.bbamem.2014.10.032

19

Kulig, W.; Olzynska, A.; Jurkiewicz, P.; Kantola, A. M.; Komulainen, S.; Manna, M.; Pourmousa, M.; Vazdar, M.; Cwiklik, L.; Rog, T.; Khelashvili, G.; Harries, D.; Telkki, V.-V.; Hof, M.; Vattulainen, I. and Jungwirth, P. Cholesterol under oxidative stress- how lipid membranes sense oxidation as cholesterol is being replaced by oxysterols. Free Radical Biology and Medicine (2015), 84: 30-41 (impact factor 8.101). DOI: https://doi.org/10.1016/j.freeradbiomed.2015.03.006

20

Kulig, W.; Tynkkynen, J.; Javanainen, M.; Manna, M.; Rog, T.; Vattulainen, I. and Jungwirth, P. How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers? Journal of Molecular Modeling (2014), 20 (2): 2121. (impact factor 2.172). DOI: https://doi.org/10.1007/s00894-014-2121-z

21

Manna, M. and Mukhopadhyay, C. Binding, conformational transition and dimerization of amyloid-β peptide on GM1-containing ternary membrane: insights from molecular dynamics simulation. PLoS ONE (2013), 8 (8):e71308. (impact factor 3.752). DOI: 10.1371/journal.pone.0071308 [rated among top 25% cited articles in PLOS ONE]

22

Manna, M. and Mukhopadhyay, C. Cholesterol driven alteration of the conformation and dynamics of phospholamban in model membranes. Physical Chemistry Chemical Physics (2011), 13(45): 20188-20198 (impact factor 3.945). DOI: 10.1039/c1cp21793c

23

Manna, M. and Mukhopadhyay, C. Molecular dynamics simulations of the interactions of Kinin peptides with an anionic POPG bilayer. Langmuir (2011), 27 (7): 3713-3722 (impact factor 4.331). DOI: https://doi.org/10.1021/la104046z

24

Manna, M. and Mukhopadhyay, C. Cause and effect of Melittin-induced pore formation: A computational approach. Langmuir (2009), 25 (20): 12235-12242 (impact factor 4.331). DOI: https://doi.org/10.1021/la902660q [* as correesponding author]