Dr. Alexey Shaytan

+7(903)741-11-76 +7(495)939-57-38 alex [at] molsim [dot] org alexeyshaytan Academic degree: PHD, University of Ulm
Position: research fellow

Alexey Shaytan received his MSc degree in condensed matter physics from Lomonosov Moscow State University (MSU) in 2007. He holds Dr. rer. nat. (Ph.D.) degree from the University of Ulm and candidate of sciences degree in physics and mathematics from MSU (2010). Since 2008 he has been working in Molecular Simulations Group, Faculty of Biology, MSU as leading engineer, research fellow and leading research fellow. During 2009-2011 he was both a research associate at the Institute of Polymer Science, University of Ulm. His professional interests are theoretical biophysics, molecular modeling and software/hardware development for molecular modeling and visualization. Main research areas include study of complex biological and hybrid systems: biological membranes and membrane proteins, ion channels, amyloid-like fibrils, etc.

Research interests

Dynamics of nucleosomes and elongation complexes,
Modulation of the function of voltage-gated potassium channels,
Simulations of amyloid-like fibrils,
Self-assembling Nanofibers from Thiophene-Peptide Oligomers



Selected publications

  1. K. V. Shaitan, O. S. Sokolova, A. K. Shaitan, M. A. Kasimova, V. N. Novoseletskii, M. P. Kirpichnikov. “Influence of Interionic Interactions on Functional State and Blocker Binding of Voltage-Gated Potassium Channels” // Moscow University Biological Sciences Bulletin 2013, 68 (1), pp. 8–14.
  2. M. Yolamanova, C. Meier, A. K. Shaytan, V. Vas, C. W. Bertoncini, F. Arnold, O. Zirafi, S. M. Usmani, J. Müller, D. Sauter, C. Goffinet, D. Palesch, P. Walther, N. R. Roan, H. Geiger, O. Lunov, T. Simmet, J. Bohne,H. Schrezenmeier, K. Schwarz, L. Ständker, W.-G. Forssmann, X. Salvatella, P. G. Khalatur, A. R. Khokhlov, T. Knowles, T. Weil, F. Kirchhoff, J. Münch. Peptide nanofibrils boost retroviral gene transfer and provide a rapid means for virus concentration. Nature Nanotechnology, 2013, 8, pp. 130–136, DOI: 10.1038/NNANO.2012.248
  3. Orekhov FS, Shaytan AK, Shaitan KV. Calculation of spectral shifts of the mutants of bacteriorhodopsin by QM/MM methods. Biofizika. 2012, 57(2), pp. 221-31.
  4. A. K. Shaytan. Computer simulations of self-assembling nanofibers from thiophene-peptide oligomers. PHD thesis, University of Ulm, published online, 2011, URN: urn:nbn:de:bsz:289-vts-78171
  5. A. K. Shaytan, E.-K. Schillinger, E. Mena-Osteritz, S. Schmid, P. G. Khalatur, P. Bäuerle, A. R. Khokhlov. Self-organizing bioinspired oligothiophene-oligopeptide hybrids. Beilstein Journal of Nanotechnology, 2011, 2, pp 525–544, DOI: 10.3762/bjnano.2.57
  6. Alexey K. Shaytan, Eva-Kathrin Schillinger, Pavel G. Khalatur, Elena Mena-Osteritz, Jens Hentschel, Hans G. Borner, Peter Bauerle, and Alexei R. Khokhlov, Self-Assembling Nanofibers from Thiophene–Peptide Diblock Oligomers: A Combined Experimental and Computer Simulations Study // ACSNano, 2011, 5(9), pp 6894-6909 DOI: 10.1021/nn2011943
  7. Shaytan A. K., Khokhlov A. R., Khalatur P. G. Large-scale atomistic simu­ lation of a nanosized fibril formed by thiophene-peptide “molecular chimeras” // Soft Matter, 2010, 6, pp 1453—1461, DOI: 10.1039/b918562c
  8. A.K. Shaytan, V.A. Ivanov, K.V. Shaitan , A.R. Khokhlov "Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulations", // Journal of Computational Chemistry, 2010, 31(1), pp 204-216, DOI: 10.1002/jcc.21267
  9. Shaytan A.K, Shaitan K.V., Khokhlov A.R. “Solvent Accessible Surface Area of Amino Acid Residues in Globular Proteins: Correlation of Apparent Transfer Free Energies with Experimental Hydrophobicity Scales. // Biomacromolecules, 2009, 10 (5), pp 1224–1237, DOI: 10.1021/bm8015169
  10. Shaitan K.V., Tourleigh Ye.V., Golik D.N., Tereshkina K.B., Levtsova O.V., Fedik I.V., Shaytan A.K., Li A., Kirpichnikov M.P. "Dynamics and molecular design of bio- and nanostructures" // Rossiyskiy Khimicheskiy Zhurnal (in Russian), 2006, 50 (2), 53–65
  11. Shaitan K.V., Tourleigh Ye.V., Golik D.N., Tereshkina K.B., Levtsova O.V., Fedik I.V., Shaytan A.K., Kirpichnikov M.P. "Nonequilibrium molecular dynamics of nanostructures including biological ones” // Khimicheskaya Fizika (in Russian), 2006, 25 (9), 31–48
  12. Shaitan K.V., Tourleigh Ye.V., Golik D.N., Tereshkina K.B., Levtsova O.V., Fedik I.V., Shaytan A.K., Kirpichnikov M.P., «Molecular dynamics and design of bio- and nanostructures», Vestnik Biotechnologii (in Russian), 2005, 1 (1), pp. 66-78