Şölen Ekesan

Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution

Jinzhe Zeng, Timothy J. Giese, Şölen Ekesan et al. · Journal of Chemical Theory and Computation · 2021 · 105 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +16

MCPath: Monte Carlo path generation approach to predict likely allosteric pathways and functional residues

Cihan Kaya, Andaç Armutlulu, Şölen Ekesan et al. · Nucleic Acids Research · 2013 · 76 citations · Full text

Life Sciences, Bioinformatics, Biophysics +14

An Ontology for Facilitating Discussion of Catalytic Strategies of RNA-Cleaving Enzymes

Philip C. Bevilacqua, Michael E. Harris, Joseph A. Piccirilli et al. · ACS Chemical Biology · 2019 · 61 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Dynamical ensemble of the active state and transition state mimic for the RNA-cleaving 8–17 DNAzyme in solution

Şölen Ekesan, Darrin M. York · Nucleic Acids Research · 2019 · 45 citations · Full text

Life Sciences, Biophysics, Molecular Biology +16

Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions

Timothy J. Giese, Jinzhe Zeng, Şölen Ekesan et al. · Journal of Chemical Theory and Computation · 2022 · 42 citations · Full text

Natural Sciences, Chemistry, Physics +17