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Extension of the Effective Fragment Potential Method to Macromolecules.
Gurunathan PK, Acharya A, Ghosh D, Kosenkov D, Kaliman I, Shao Y, Krylov AI, Slipchenko LV. Gurunathan PK, et al. Among authors: kosenkov d. J Phys Chem B. 2016 Jul 14;120(27):6562-74. doi: 10.1021/acs.jpcb.6b04166. Epub 2016 Jul 6. J Phys Chem B. 2016. PMID: 27314461
Evolution of amide stacking in larger γ-peptides: triamide H-bonded cycles.
James WH 3rd, Buchanan EG, Müller CW, Dean JC, Kosenkov D, Slipchenko LV, Guo L, Reidenbach AG, Gellman SH, Zwier TS. James WH 3rd, et al. Among authors: kosenkov d. J Phys Chem A. 2011 Dec 1;115(47):13783-98. doi: 10.1021/jp205527e. Epub 2011 Nov 8. J Phys Chem A. 2011. PMID: 21978283
Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set.
Flick JC, Kosenkov D, Hohenstein EG, Sherrill CD, Slipchenko LV. Flick JC, et al. Among authors: kosenkov d. J Chem Theory Comput. 2014 Oct 14;10(10):4759-60. doi: 10.1021/ct500658b. Epub 2014 Aug 7. J Chem Theory Comput. 2014. PMID: 26588163 No abstract available.
27 results