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Michelle A Sahai, D.Phil - Publications

Affiliations: 
Life Sciences University of Roehampton 
Area:
Molecular modelling, computational biochemistry, biomedicine
Website:
https://www.michellesahai.com/
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25 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Shiref H, Bergman S, Clivio S, Sahai MA. The fine art of preparing membrane transport proteins for biomolecular simulations: concepts and practical considerations. Methods (San Diego, Calif.). PMID 32081744 DOI: 10.1016/J.Ymeth.2020.02.009  0.31
2018 Sahai MA, Davidson C, Dutta N, Opacka-Juffry J. 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 Sciences. 8. PMID 29642450 DOI: 10.3390/Brainsci8040063  0.324
2017 Sahai MA, Davidson C, Khelashvili G, Barrese V, Dutta N, Weinstein H, Opacka-Juffry J. Combined in Vitro and in Silico Approaches to the Assessment of Stimulant Properties of Novel Psychoactive Substances Biophysical Journal. 112: 338a-339a. DOI: 10.1016/J.Bpj.2016.11.1833  0.494
2016 Sahai MA, Davidson C, Khelashvili G, Barrese V, Dutta N, Weinstein H, Opacka-Juffry J. Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances - The case of the benzofuran 5-MAPB. Progress in Neuro-Psychopharmacology & Biological Psychiatry. PMID 27890676 DOI: 10.1016/J.Pnpbp.2016.11.004  0.493
2015 Khelashvili G, Stanley N, Sahai MA, Medina J, LeVine MV, Shi L, De Fabritiis G, Weinstein H. Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus. Acs Chemical Neuroscience. PMID 26255829 DOI: 10.1021/Acschemneuro.5B00179  0.527
2015 Khelashvili G, Doktorova M, Sahai MA, Johner N, Shi L, Weinstein H. Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2 -containing membranes. Proteins. 83: 952-69. PMID 25739722 DOI: 10.1002/Prot.24792  0.506
2015 Khelashvili G, Doktorova M, Sahai MA, Johner N, Shi L, Weinstein H. Computational Modeling of the N-Terminus of the Human Dopamine Transporter (hDAT) Biophysical Journal. 108: 252a. DOI: 10.1016/J.Bpj.2014.11.1394  0.51
2014 Handschuh K, Feenstra J, Koss M, Ferretti E, Risolino M, Zewdu R, Sahai MA, Bénazet JD, Peng XP, Depew MJ, Quintana L, Sharpe J, Wang B, Alcorn H, Rivi R, et al. ESCRT-II/Vps25 constrains digit number by endosome-mediated selective modulation of FGF-SHH signaling. Cell Reports. 9: 674-87. PMID 25373905 DOI: 10.1016/J.Celrep.2014.09.019  0.425
2014 Hansen FH, Skjørringe T, Yasmeen S, Arends NV, Sahai MA, Erreger K, Andreassen TF, Holy M, Hamilton PJ, Neergheen V, Karlsborg M, Newman AH, Pope S, Heales SJ, Friberg L, et al. Missense dopamine transporter mutations associate with adult parkinsonism and ADHD. The Journal of Clinical Investigation. 124: 3107-20. PMID 24911152 DOI: 10.1172/Jci73778  0.464
2013 Sahai MA, Burnett B, Stolzenberg S, Shi L, Weinstein H. Path Searching Towards the Symmetric Inward Open Structure of LeuT Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.354  0.529
2011 Sahai MA, Biggin PC. Quantifying water-mediated protein-ligand interactions in a glutamate receptor: a DFT study. The Journal of Physical Chemistry. B. 115: 7085-96. PMID 21545106 DOI: 10.1021/Jp200776T  0.544
2010 Vijayan R, Sahai MA, Czajkowski T, Biggin PC. A comparative analysis of the role of water in the binding pockets of ionotropic glutamate receptors. Physical Chemistry Chemical Physics : Pccp. 12: 14057-66. PMID 20856958 DOI: 10.1039/C004336B  0.53
2010 Sahai MA. Quantifying Water-Mediated Protein-Ligand Interactions in a Glutamate Receptor Biophysical Journal. 98: 242. DOI: 10.1016/J.Bpj.2009.12.1315  0.327
2007 Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study. The Journal of Physical Chemistry. B. 111: 13135-42. PMID 17949073 DOI: 10.1021/jp074046r  0.632
2007 Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study. The Journal of Physical Chemistry. B. 111: 11592-602. PMID 17824687 DOI: 10.1021/Jp073471H  0.643
2007 Sahai MA, Szöri M, Viskolcz B, Pai EF, Csizmadia IG. Transition state infrared spectra for the trans-->cis isomerization of a simple peptide model. The Journal of Physical Chemistry. A. 111: 8384-9. PMID 17685601 DOI: 10.1021/Jp074991F  0.694
2006 Sahai MA, Fejer SN, Viskolcz B, Pai EF, Csizmadia IG. First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers. The Journal of Physical Chemistry. A. 110: 11527-36. PMID 17020266 DOI: 10.1021/Jp0680488  0.671
2005 Sahai MA, Kehoe TA, Koo JC, Setiadi DH, Chass GA, Viskolcz B, Penke B, Pai EF, Csizmadia IG. First principle computational study on the full conformational space of L-proline diamides. The Journal of Physical Chemistry. A. 109: 2660-79. PMID 16833573 DOI: 10.1021/Jp040594I  0.669
2005 Hegedűs IL, Sahai MA, Labádi M, Szőri M, Paragi G, Viskolcz B, Bottoni A. 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 Journal of Molecular Structure-Theochem. 725: 111-125. DOI: 10.1016/J.Theochem.2005.01.045  0.402
2003 Sahai MA, Sahai MR, Chass GA, Penke B, Csizmadia IG. 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 Journal of Molecular Structure: Theochem. 666: 327-336. DOI: 10.1016/J.Theochem.2003.08.041  0.536
2003 Sahai MA, Setiadi DH, Chass GA, Pai EF, Penke B, Csizmadia IG. A model study of the IgA hinge region: An exploratory study of selected backbone conformations of MeCO-L-Pro-L-Thr-NH-Me Journal of Molecular Structure: Theochem. 666: 311-319. DOI: 10.1016/J.Theochem.2003.08.036  0.617
2003 Brijbassi SU, Sahai MA, Setiadi DH, Chass GA, Penke B, Csizmadia IG. 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 Journal of Molecular Structure: Theochem. 666: 291-301. DOI: 10.1016/J.Theochem.2003.08.034  0.523
2003 Sahai MA, Motiwala SS, Chass GA, Pai EF, Penke B, Csizmadia IG. An ab initio exploratory study of the full conformational space of MeCO-L-threonine-NH-Me Journal of Molecular Structure: Theochem. 666: 251-267. DOI: 10.1016/J.Theochem.2003.08.031  0.665
2003 Sahai MA, Lovas S, Chass GA, Penke B, Csizmadia IG. A modular numbering system of selected oligopeptides for molecular computations: Using pre-computed amino acid building blocks Journal of Molecular Structure: Theochem. 666: 169-218. DOI: 10.1016/J.Theochem.2003.08.028  0.512
2002 Chass GA, Sahai MA, Law JMS, Lovas S, Farkas �, Perczel A, Rivail J, Csizmadia IG. Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database International Journal of Quantum Chemistry. 90: 933-968. DOI: 10.1002/Qua.947  0.501
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