Year |
Citation |
Score |
2022 |
Coskun D, Chen W, Clark AJ, Lu C, Harder ED, Wang L, Friesner RA, Miller EB. Reliable and Accurate Prediction of Single-Residue p Values through Free Energy Perturbation Calculations. Journal of Chemical Theory and Computation. PMID 36384001 DOI: 10.1021/acs.jctc.2c00954 |
0.482 |
|
2022 |
Rudshteyn B, Weber JL, Coskun D, Devlaminck PA, Zhang S, Reichman DR, Shee J, Friesner RA. Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals. Journal of Chemical Theory and Computation. PMID 35377642 DOI: 10.1021/acs.jctc.1c01071 |
0.684 |
|
2020 |
Rudshteyn B, Coskun D, Weber JL, Arthur EJ, Zhang S, Reichman DR, Friesner RA, Shee J. Predicting Ligand-Dissociation Energies of 3 Coordination Complexes with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. PMID 32293882 DOI: 10.1021/Acs.Jctc.0C00070 |
0.669 |
|
2020 |
Li G, Rudshteyn B, Shee J, Weber JL, Coskun D, Bochevarov AD, Friesner RA. Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiment and Benchmark Quantum Chemical Calculations. Journal of Chemical Theory and Computation. PMID 32150400 DOI: 10.1021/Acs.Jctc.9B00875 |
0.648 |
|
2016 |
Coskun D, Jerome SV, Friesner RA. 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 transition metal containing systems. Journal of Chemical Theory and Computation. PMID 26808695 DOI: 10.1021/Acs.Jctc.5B00782 |
0.65 |
|
Low-probability matches (unlikely to be authored by this person) |
2023 |
Coskun D, Lihan M, Rodrigues JPGLM, Vass M, Robinson D, Friesner RA, Miller EB. 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. PMID 38100422 DOI: 10.1021/acs.jctc.3c00839 |
0.238 |
|
2017 |
Coskun D, Tüzün NŞ. A DFT study on the mechanism of Rh-catalyzed competitive 1,2- versus 1,3-acyloxy migration followed by [5+1] and [4+1] cycloadditions of 1,4-enynes with CO Journal of Organometallic Chemistry. 851: 97-103. DOI: 10.1016/J.JORGANCHEM.2017.09.017 |
0.108 |
|
2011 |
Coşkun HŞ, Coşkun D, Durak S, Aydin S, Yildiz M. Specialist physicians should be aware of the national cancer control and screening program: a report from medical oncologists in Turkey. Asian Pacific Journal of Cancer Prevention : Apjcp. 12: 337. PMID 21517283 |
0.019 |
|
Hide low-probability matches. |