Publikationen von P. Dobrev

Zeitschriftenartikel (2)

1.
Zeitschriftenartikel
Dobrev, P.; Vemulapalli, S. P.; Nath, N.; Griesinger, C.; Grubmüller, H.: Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. Journal of Chemical Theory and Computation 16 (4), S. 2561 - 2569 (2020)
2.
Zeitschriftenartikel
Dobrev, P.; Donnini, S.; Groenhof, G.; Grubmüller, H.: Accurate three states model for amino acids with two chemically coupled titrating sites in explicit solvent atomistic constant pH simulations and pKa calculations. Journal of Chemical Theory and Computation 13 (1), S. 147 - 160 (2017)

Buchkapitel (1)

3.
Buchkapitel
Kohnke, B.; Ullmann, R. T.; Beckman, A.; Kabadshow, I.; Haensel, D.; Morgenstern, L.; Dobrev, P.; Groenhof, G.; Kutzner, C.; Hess, B. et al.; Dachsel, H.; Grubmüller, H.: GROMEX: A scalable and versatile fast multipole method for biomolecular simulation. In: Software for Exascale Computing - SPPEXA 2016-2019, S. 517 - 543 (Hg. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)

Konferenzbeitrag (1)

4.
Konferenzbeitrag
Dobrev, P.; Vemulapalli, S. P.; Nath, N.; Griesinger, C.; Grubmüller, H.: Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (3, Suppl. 1), S. 140A - 140A (2020)

Hochschulschrift - Doktorarbeit (1)

5.
Hochschulschrift - Doktorarbeit
Dobrev, P.: Protonation patterns in reduced and oxidized form of electron transfer proteins. Dissertation, 92 S., Georg-August-Universität, Göttingen (2012)
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