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4. Winkelmann K, Heilmann J, Zerbe O, Rali T, Sticher O (2001) J Nat Prod 64:701–706
5. Winkelmann K, Heilmann J, Zerbe O, Rali T, Sticher O (2001) Helv Chim Acta 84:3380–3392
6. Mammino L (2013) J Molec Model 19:2127–2142
7. Mammino L (2017) J Mol Model. https://doi.org/10.1007/s00894-017-3443-4
8. Mammino L (2019) Adv Quantum Chem 78:83–108
9. Athanasas K, Magiatis P, Fokialakis N, Skaltsounis AL, Pratsinis H, Kletsas D (2004) J Nat
Prod 67:973–977
10. Peuchen S, Bolanos JP, Heales SJR, Almeida A, Duchen MR, Clark JB (1997) Prog Neurobiol
52:261–281
11. Facchinetti F, Dawson VL, Dawson TM (1998) Cell Mol Neurobiol 18:667–677
12. Alagona G, Ghio C (2009) Phys Chem Chem Phys 11:776–790
13. Chiodo SG, Leopoldini M, Russo N, Toscano M (2010) Phys Chem Chem Phys 12:7662–7670
14. Leopoldini M, Prieto Pitarch I, Russo N, Toscano M (2004) J Phys Chem A 108:92–96
15. Leopoldini M, Marino T, Russo N, Toscano M (2004) J Phys Chem A 108:4916–4922
16. Leopoldini M, Marino T, Russo N, Toscano M (2004) Theor Chem Acc 111:210–216
17. Leopoldini M, Russo N, Toscano M (2006) J Agric Food Chem 54:3078–3085
18. Leopoldini M, Russo N, Toscano M (2007) J Agric Food Chem 55:7944–7949
19. Leopoldini M, Russo N, Toscano M (2011) Food Chem 125:288–306
20. Leopoldini M, Chiodo SG, Russo N, Toscano M (2011) J Chem Theory Comput 7:4218–4233
21. Bentes ALA, Borges RS, Monteiro WR, Luiz GM, de Macedo LGM (2011) Alves CN 16:1749–
1760
22. Iuga C, Alvarez-Idaboy JR, Russo N (2012) J Org Chem 77:3868–3877
23. Mazzone G, Malaj N, Galano A, Russo N, Toscano M (2015) RSC Advances 5:565–575
24. Galano A, Mazzone G, Alvarez-Diduk R, Marino T, Alvarez-Idaboy JR, Russo N (2016) Annu
Rev Food Sci Technol 7:335–352
25. Verotta L (2003) Phytochem Rev 1:389–407
26. Kabanda MM, Mammino L (2012) Int J Quant Chem 112:3691–3702
27. Mammino L, Kabanda MM (2009) J Mol Struct (Theochem) 901:210–219
28. Mammino L, Kabanda MM (2009) J Phys Chem A 113(52):15064–15077
29. Appendino G, Ottino M, Marquez N, Bianchi F, Giana A, Ballero M, Sterner O, Fiebich BL,
Munoz E (2007) J Nat Prod 70:608–612
30. Bauer J, Koeberle A, Dehm F, Pollastro F, Appendino G, Northoff H, Rossi A, Sautebin L,
Werz O (2011) Biochem Pharmacol 81:259–268
31. Rosa A, Pollastro F, Atzeri A, Appendino G, Melis MP, Deiana M, Incani A, Loru D, Dessì
MA (2011) Chem Phys Lipids 164:24–32
32. Mammino L, Kabanda MM (2013) Molec Simul 39(1):1–13
33. Mammino L, Kabanda MM (2012) Int J Quant Chem 112:2650–2658
34. Alagona G, Ghio C (2009) J Phys Chem A 113:15206–15216
35. Becke AD (1992) J Chem Phys 96:9489
36. Becke AD (1993) J Chem Phys 98:5648–5652
37. Lee C, Yang W, Parr RG (1998) Phys Rev B 37:785–789
38. Hay J, Wadt WR (1985) J Chem Phys 82(270):284–299
39. Siegbahn PEM (2003) Q Rev Biophys 36(1):91–145
40. Siegbahn PE (2006) J Biol Inorg Chem 11(6):695–701
41. Reed AE, Weinhold F (1983) J Chem Phys 78(6):4066–4074
42. Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83(2):735–747
43. Reed AE, Weinhold F (1985) J Chem Phys 83(4):1736–1741
44. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88(6):899–926
45. Carpenter JE, Weinhold F (1988) J Mol Struct (Theochem) 169:41–62
46. Boys SF, Bernardi F (1970) Mol Phys 19:553–566
47. Merrick JP, Moran D, Radom L (2007) J Phys Chem A 111:11683–11700
48. Tomasi J, Persico M (1994) Chem Rev 94:2027–2094
49. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999–3093
50. Mennucci B (2010) J Phys Chem Lett 1:1666–1674
181
4. Winkelmann K, Heilmann J, Zerbe O, Rali T, Sticher O (2001) J Nat Prod 64:701–706
5. Winkelmann K, Heilmann J, Zerbe O, Rali T, Sticher O (2001) Helv Chim Acta 84:3380–3392
6. Mammino L (2013) J Molec Model 19:2127–2142
7. Mammino L (2017) J Mol Model. https://doi.org/10.1007/s00894-017-3443-4
8. Mammino L (2019) Adv Quantum Chem 78:83–108
9. Athanasas K, Magiatis P, Fokialakis N, Skaltsounis AL, Pratsinis H, Kletsas D (2004) J Nat
Prod 67:973–977
10. Peuchen S, Bolanos JP, Heales SJR, Almeida A, Duchen MR, Clark JB (1997) Prog Neurobiol
52:261–281
11. Facchinetti F, Dawson VL, Dawson TM (1998) Cell Mol Neurobiol 18:667–677
12. Alagona G, Ghio C (2009) Phys Chem Chem Phys 11:776–790
13. Chiodo SG, Leopoldini M, Russo N, Toscano M (2010) Phys Chem Chem Phys 12:7662–7670
14. Leopoldini M, Prieto Pitarch I, Russo N, Toscano M (2004) J Phys Chem A 108:92–96
15. Leopoldini M, Marino T, Russo N, Toscano M (2004) J Phys Chem A 108:4916–4922
16. Leopoldini M, Marino T, Russo N, Toscano M (2004) Theor Chem Acc 111:210–216
17. Leopoldini M, Russo N, Toscano M (2006) J Agric Food Chem 54:3078–3085
18. Leopoldini M, Russo N, Toscano M (2007) J Agric Food Chem 55:7944–7949
19. Leopoldini M, Russo N, Toscano M (2011) Food Chem 125:288–306
20. Leopoldini M, Chiodo SG, Russo N, Toscano M (2011) J Chem Theory Comput 7:4218–4233
21. Bentes ALA, Borges RS, Monteiro WR, Luiz GM, de Macedo LGM (2011) Alves CN 16:1749–
1760
22. Iuga C, Alvarez-Idaboy JR, Russo N (2012) J Org Chem 77:3868–3877
23. Mazzone G, Malaj N, Galano A, Russo N, Toscano M (2015) RSC Advances 5:565–575
24. Galano A, Mazzone G, Alvarez-Diduk R, Marino T, Alvarez-Idaboy JR, Russo N (2016) Annu
Rev Food Sci Technol 7:335–352
25. Verotta L (2003) Phytochem Rev 1:389–407
26. Kabanda MM, Mammino L (2012) Int J Quant Chem 112:3691–3702
27. Mammino L, Kabanda MM (2009) J Mol Struct (Theochem) 901:210–219
28. Mammino L, Kabanda MM (2009) J Phys Chem A 113(52):15064–15077
29. Appendino G, Ottino M, Marquez N, Bianchi F, Giana A, Ballero M, Sterner O, Fiebich BL,
Munoz E (2007) J Nat Prod 70:608–612
30. Bauer J, Koeberle A, Dehm F, Pollastro F, Appendino G, Northoff H, Rossi A, Sautebin L,
Werz O (2011) Biochem Pharmacol 81:259–268
31. Rosa A, Pollastro F, Atzeri A, Appendino G, Melis MP, Deiana M, Incani A, Loru D, Dessì
MA (2011) Chem Phys Lipids 164:24–32
32. Mammino L, Kabanda MM (2013) Molec Simul 39(1):1–13
33. Mammino L, Kabanda MM (2012) Int J Quant Chem 112:2650–2658
34. Alagona G, Ghio C (2009) J Phys Chem A 113:15206–15216
35. Becke AD (1992) J Chem Phys 96:9489
36. Becke AD (1993) J Chem Phys 98:5648–5652
37. Lee C, Yang W, Parr RG (1998) Phys Rev B 37:785–789
38. Hay J, Wadt WR (1985) J Chem Phys 82(270):284–299
39. Siegbahn PEM (2003) Q Rev Biophys 36(1):91–145
40. Siegbahn PE (2006) J Biol Inorg Chem 11(6):695–701
41. Reed AE, Weinhold F (1983) J Chem Phys 78(6):4066–4074
42. Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83(2):735–747
43. Reed AE, Weinhold F (1985) J Chem Phys 83(4):1736–1741
44. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88(6):899–926
45. Carpenter JE, Weinhold F (1988) J Mol Struct (Theochem) 169:41–62
46. Boys SF, Bernardi F (1970) Mol Phys 19:553–566
47. Merrick JP, Moran D, Radom L (2007) J Phys Chem A 111:11683–11700
48. Tomasi J, Persico M (1994) Chem Rev 94:2027–2094
49. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999–3093
50. Mennucci B (2010) J Phys Chem Lett 1:1666–1674