Dilek Coskun

Dilek Coskun

Columbia University New York - New York / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5621700
person_outline Dilek Coskun's MOST POPULAR ARTICLES
1-) Evaluation of the performance of the B3LYP, PBE0, and M06 DFT functionals, and DBLOC-corrected versions, in the calculation of redox potentials and spin splittings for … Journal of chemical theory and computation 12 (3), 1121-1128, 2016
2-) Predicting ligand-dissociation energies of 3d coordination complexes with auxiliary-field quantum Monte Carlo Journal of Chemical Theory and Computation 16 (5), 3041-3054, 2020
3-) Calculation of metallocene ionization potentials via auxiliary field quantum Monte Carlo: toward benchmark quantum chemistry for transition metals Journal of chemical theory and computation 18 (5), 2845-2862, 2022
4-) Using AlphaFold and experimental structures for the prediction of the structure and binding affinities of GPCR complexes via induced fit docking and free energy perturbation Journal of Chemical Theory and Computation 20 (1), 477-489, 2023
5-) Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations Journal of Chemical Theory and Computation 18 (12), 7193-7204, 2022