Melek Nihan Ucisik - Publications

University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
computational chemisttry

14 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
2017 Ucisik MN, Hammes-Schiffer S. Effects of Active Site Mutations on Specificity of Nucleobase Binding in Human DNA Polymerase η. The Journal of Physical Chemistry. B. 121: 3667-3675. PMID 28423907 DOI: 10.1021/Acs.Jpcb.6B09973  1
2016 Ucisik MN, Bevilacqua PC, Hammes-Schiffer S. Molecular Dynamics Study of Twister Ribozyme: Role of Mg2+ Ions and Hydrogen-Bonding Network in Active Site. Biochemistry. PMID 27295275 DOI: 10.1021/Acs.Biochem.6B00203  1
2015 Ucisik MN, Hammes-Schiffer S. Comparative Molecular Dynamics Studies of Human DNA Polymerase η. Journal of Chemical Information and Modeling. PMID 26562587 DOI: 10.1021/Acs.Jcim.5B00606  1
2015 Ucisik MN, Hammes-Schiffer S. Relative Binding Free Energies of Adenine and Guanine to Damaged and Undamaged DNA in Human DNA Polymerase η: Clues for Fidelity and Overall Efficiency. Journal of the American Chemical Society. 137: 13240-3. PMID 26434497 DOI: 10.1021/Jacs.5B08451  1
2015 Ucisik MN, Chakravorty DK, Merz KM. Models for the Metal Transfer Complex of the N-Terminal Region of CusB and CusF. Biochemistry. 54: 4226-35. PMID 26079272 DOI: 10.1021/Acs.Biochem.5B00195  1
2014 Minkara MS, Ucisik MN, Weaver MN, Merz KM. Molecular Dynamics Study of Helicobacter pylori Urease. Journal of Chemical Theory and Computation. 10: 1852-1862. PMID 24839409 DOI: 10.1021/Ct5000023  1
2014 Ucisik MN, Zheng Z, Faver JC, Merz KM. Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring" Journal of Chemical Theory and Computation. 10: 1314-1325. PMID 24803861 DOI: 10.1021/Ct400995C  1
2013 Zheng Z, Ucisik MN, Merz KM. The Movable Type Method Applied to Protein-Ligand Binding. Journal of Chemical Theory and Computation. 9: 5526-5538. PMID 24535920 DOI: 10.1021/ct4005992  1
2013 Ucisik MN, Chakravorty DK, Merz KM. Structure and dynamics of the N-terminal domain of the Cu(I) binding protein CusB. Biochemistry. 52: 6911-23. PMID 23988152 DOI: 10.1021/Bi400606B  1
2013 Faver JC, Ucisik MN, Yang W, Merz KM. Computer-aided drug design: Using numbers to your advantage Acs Medicinal Chemistry Letters. 4: 812-814. DOI: 10.1021/Ml4002634  1
2012 Benson ML, Faver JC, Ucisik MN, Dashti DS, Zheng Z, Merz KM. Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores. Journal of Computer-Aided Molecular Design. 26: 647-59. PMID 22476578 DOI: 10.1007/S10822-012-9567-9  1
2012 Yang Y, Wang B, Ucisik MN, Cui G, Fierke CA, Merz KM. Insights into the mechanistic dichotomy of the protein farnesyltransferase peptide substrates CVIM and CVLS. Journal of the American Chemical Society. 134: 820-3. PMID 22206225 DOI: 10.1021/Ja209650H  1
2011 Chakravorty DK, Wang B, Ucisik MN, Merz KM. Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF. Journal of the American Chemical Society. 133: 19330-3. PMID 22029374 DOI: 10.1021/Ja208662Z  1
2011 Ucisik MN, Dashti DS, Faver JC, Merz KM. Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case. The Journal of Chemical Physics. 135: 085101. PMID 21895219 DOI: 10.1063/1.3624750  1
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