2022
28. M.A. Sahai, A. Ivanova. Case study: Biochemistry without borders: a case study utilising infographics, Essays in Biochemistry. (2022) doi: 10.1042/EBC20210040
2021
27. M.A. Sahai, J. Opacka-Juffry. Molecular mechanisms of action of stimulant novel psychoactive substances that target the high-affinity transporter for dopamine, Neuronal Signal. 5 (2021). doi: 10.1042/NS20210006
2020
26. H. Shiref, S. Bergman, S. Clivio, M.A. Sahai, The fine art of preparing membrane transport proteins for biomolecular simulations: Concepts and practical considerations, Methods. (2020). doi:10.1016/j.ymeth.2020.02.009.
25. B. Loi, M.A. Sahai, M.A. De Luca, H. Shiref, J. Opacka-Juffry, The Role of Dopamine in the Stimulant Characteristics of Novel Psychoactive Substances (NPS)—Neurobiological and Computational Assessment Using the Case of Desoxypipradrol (2-DPMP), Front. Pharmacol. 11 (2020) 806. doi:10.3389/fphar.2020.00806.
24. H. Shiref, M.A. Sahai, Albert Szent-Györgyi—The Scientist Who Discovered Vitamin C, Front. Young Minds. 8 (2020). doi:10.3389/frym.2020.00019.
2019
23. S.M. Jackson, E. Ivanova, A.N. Calabrese, A. Polyakova, D.J. Sharples, T. Shimamura, F. Brueckner, K.J. Simmons, M. A. Sahai, H. Majd, E. Kunji, I. Ahmad, S. Weyand, S. Suzuki, A.E. Ashcroft, M. Kokkinidou, A. Pearson, O. Beckstein, S.A. Baldwin, S. Iwata, A.D. Cameron, P.J.F. Henderson, Structure, Substrate Recognition, and Mechanism of the Na+-Hydantoin Membrane Transport Protein, Mhp1, in: Encycl. Biophys., Springer Berlin Heidelberg, 2019: pp. 1–12. doi:10.1007/978-3-642-35943-9_10091-1.
2018
22. M.A. Sahai, C. Davidson, N. Dutta, J. Opacka-Juffry, Mechanistic Insights into the Stimulant Properties of Novel Psychoactive Substances (NPS) and Their Discrimination by the Dopamine Transporter—In Silico and In Vitro Exploration of Dissociative Diarylethylamines, Brain Sci. 8 (2018) 63. doi:10.3390/brainsci8040063.
2017
21. U. Nayar, J. Sadek, J. Reichel, D. Hernandez-Hopkins, G. Akar, P.J. Barelli, M.A. Sahai, H. Zhou, J. Totonchy, D. Jayabalan, R. Niesvizky, I. Guasparri, D. Hassane, Y. Liu, S. Sei, R.H. Shoemaker, J.D. Warren, O. Elemento, K.M. Kaye, E. Cesarman, Identification of a nucleoside analog active against adenosine kinase-expressing plasma cell malignancies, J. Clin. Invest. 127 (2017) 2066–2080. doi:10.1172/JCI83936.
20. M.A. Sahai, C. Davidson, G. Khelashvili, V. Barrese, N. Dutta, H. Weinstein, J. Opacka-Juffry, Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances – The case of the benzofuran 5-MAPB, Prog. Neuro-Psychopharmacology Biol. Psychiatry. 75 (2017) 1–9. doi:10.1016/j.pnpbp.2016.11.004.
2015
19. G. Khelashvili, M. Doktorova, M.A. Sahai, N. Johner, L. Shi, H. Weinstein, Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2 -containing membranes., Proteins. 83 (2015) 952–69. doi:10.1002/prot.24792.
18. G. Khelashvili, N. Stanley, M.A. Sahai, J. Medina, M. V LeVine, L. Shi, G. De Fabritiis, H. Weinstein, Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus., ACS Chem. Neurosci. 6 (2015) 1825–37. doi:10.1021/acschemneuro.5b00179.
2014
17. K. Handschuh, J. Feenstra, M. Koss, E. Ferretti, M. Risolino, R. Zewdu, M.A. Sahai, J.-D. Bénazet, X.P. Peng, M.J. Depew, L. Quintana, J. Sharpe, B. Wang, H. Alcorn, R. Rivi, S. Butcher, J.R. Manak, T. Vaccari, H. Weinstein, K.V. Anderson, E. Lacy, L. Selleri, ESCRT-II/Vps25 Constrains Digit Number by Endosome-Mediated Selective Modulation of FGF-SHH Signaling, Cell Rep. 9 (2014) 674–687. doi:10.1016/j.celrep.2014.09.019.
16. F.H. Hansen, T. Skjørringe, S. Yasmeen, N. V Arends, M.A. Sahai, K. Erreger, T.F. Andreassen, M. Holy, P.J. Hamilton, V. Neergheen, M. Karlsborg, A.H. Newman, S. Pope, S.J.R. Heales, L. Friberg, I. Law, L.H. Pinborg, H.H. Sitte, C. Loland, L. Shi, H. Weinstein, A. Galli, L.E. Hjermind, L.B. Møller, U. Gether, Missense dopamine transporter mutations associate with adult parkinsonism and ADHD., J. Clin. Invest. 124 (2014) 3107–20. doi:10.1172/JCI73778.
2013
15. P.J. Hamilton, N.G. Campbell, S. Sharma, K. Erreger, F. Herborg Hansen, C. Saunders, A.N. Belovich, M.J. Daly, R.A. Gibbs, E. Boerwinkle, J.D. Buxbaum, E.H. Cook, B. Devlin, E.T. Lim, B.M. Neale, K. Roeder, A. Sabo, G.D. Schellenberg, C. Stevens, J.S. Sutcliffe, M.A. Sahai, E.H. Cook, U. Gether, H.S. Mchaourab, H.J.G. Matthies, J.S. Sutcliffe, A. Galli, De novo mutation in the dopamine transporter gene associates dopamine dysfunction with autism spectrum disorder, Mol. Psychiatry. 18 (2013) 1315–1323. doi:10.1038/mp.2013.102.
2011
14. M.A. Sahai, P.C. Biggin, Quantifying Water-Mediated Protein-Ligand Interactions in a Glutamate Receptor: A DFT Study., J. Phys. Chem. B. (2011). doi:10.1021/jp200776t.
2010
13. R. Vijayan, M.A. Sahai, T. Czajkowski, P.C. Biggin, A comparative analysis of the role of water in the binding pockets of ionotropic glutamate receptors., Phys. Chem. Chem. Phys. 12 (2010) 14057–66. doi:10.1039/c004336b.
2007
12. M.A. Sahai, B. Viskolcz, E.F. Pai, I.G. Csizmadia, Quantifying the intrinsic effects of two point mutation models of Pro-Pro-Pro triamino acid diamide. A first-principle computational study, J. Phys. Chem. B. 111 (2007). doi:10.1021/jp074046r.
11. M.A. Sahai, B. Viskolcz, E.F. Pai, I.G. Csizmadia, Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study., J. Phys. Chem. B. 111 (2007) 11592–602. doi:10.1021/jp074046r.
10. M.A. Sahai, M. Szöri, B. Viskolcz, E.F. Pai, I.G. Csizmadia, Transition state infrared spectra for the trans-->cis isomerization of a simple peptide model., J. Phys. Chem. A. 111 (2007) 8384–9. doi:10.1021/jp074991f.
2006
9. M.A. Sahai, S.N. Fejer, B. Viskolcz, E.F. Pai, I.G. Csizmadia, First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers., J. Phys. Chem. A. 110 (2006) 11527–36. doi:10.1021/jp0680488.
2005
8. M.A. Sahai, T.A.K. Kehoe, J.C.P. Koo, D.H. Setiadi, G.A. Chass, B. Viskolcz, B. Penke, E.F. Pai, I.G. Csizmadia, First principle computational study on the full conformational space of L-proline diamides., J. Phys. Chem. A. 109 (2005) 2660–79. doi:10.1021/jp040594i
7. I.L. Hegedűs, M.A. Sahai, M. Labádi, M. Szőri, G. Paragi, B. Viskolcz, A. Bottoni, Selenocysteine derivatives I. Sidechain conformational potential energy surface of N-acetyl-l-selenocysteine-N-methylamide (MeCO-l-Sec-NH-Me) in its βl backbone conformation, J. Mol. Struct. THEOCHEM. 725 (2005) 111–125. doi:10.1016/j.theochem.2005.01.045.
2003
6. M.A. Sahai, D.H. Setiadi, G.A. Chass, E.F. Pai, B. Penke, I.G. Csizmadia, A model study of the IgA hinge region: an exploratory study of selected backbone conformations of MeCO-l-Pro-l-Thr-NH-Me, J. Mol. Struct. THEOCHEM. 666–667 (2003) 311–319. doi:10.1016/j.theochem.2003.08.036.
5. M.A. Sahai, S. Lovas, G.A. Chass, B. Penke, I.G. Csizmadia, A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks, J. Mol. Struct. THEOCHEM. 666–667 (2003) 169–218. doi:10.1016/j.theochem.2003.08.028.
4. M.A. Sahai, S.S. Motiwala, G.A. Chass, E.F. Pai, B. Penke, I.G. Csizmadia, An ab initio exploratory study of the full conformational space of MeCO-l-threonine-NH-Me, J. Mol. Struct. THEOCHEM. 666–667 (2003) 251–267. doi:10.1016/j.theochem.2003.08.031.
3. M.A. Sahai, M.R. Sahai, G.A. Chass, B. Penke, I.G. Csizmadia, An ab initio exploratory study on selected conformational features of MeCO-l-Ala-l-Ala-l-Ala-NH-Me as a XxxYyyZzz tripeptide motif within a protein structure, J. Mol. Struct. THEOCHEM. 666–667 (2003) 327–336. doi:10.1016/j.theochem.2003.08.041.
2. S.U. Brijbassi, M.A. Sahai, D.H. Setiadi, G.A. Chass, B. Penke, I.G. Csizmadia, An ab initio exploratory study on the conformational features of the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations: determination of the behaviour of d-enantiomer amino acids within a peptide chain, J. Mol. Struct. THEOCHEM. 666–667 (2003) 291–301. doi:10.1016/j.theochem.2003.08.034.
2002
1. G.A. Chass, M.A. Sahai, J.M.S. Law, S. Lovas, Odon Farkas, A. Perczel, J.-L. Rivail, I.G. Csizmadia, Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database, Int. J. Quantum Chem. 90 (2002) 933–968. doi:10.1002/qua.947.