Dilek Coskun
Columbia University in the City of New York
H-index: 4
North America-United States
Top articles of Dilek Coskun
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
2023/12/15
Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations
Journal of Chemical Theory and Computation
2022/11/16
Calculation of metallocene ionization potentials via auxiliary field quantum Monte Carlo: Toward benchmark quantum chemistry for transition metals
Journal of chemical theory and computation
2022/4/4
Computational Approaches for Protein pK a Calculations
2021
Dilek Coskun
H-Index: 3
Computational Methods for the Calculation of Electrochemical Properties and pKa Predictions
2021
Dilek Coskun
H-Index: 3
Predicting ligand-dissociation energies of 3d coordination complexes with auxiliary-field quantum Monte Carlo
Journal of Chemical Theory and Computation
2020/4/15
Accurate quantum chemical calculation of ionization potentials: Validation of the DFT-loc approach via a large data set obtained from experiments and benchmark quantum chemical …
Journal of Chemical Theory and Computation
2020/3/9