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Şölen Ekesan

rutgers university system

11H-index
24Paper Count
517Citation Count
Published Papers 12
Publication Date
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FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free Energy Networks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-21
err0
errOAAI
errGiese, Timothy J.; Snyder, Ryan; Piskulich, Zeke; Barletta, German P.; Zhang, Shi; McCarthy, Erika; Ekesan, Solen; York, Darrin M.
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The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme
errACS CATALYSIS
IF13.1
err2024-10-02
err0
errOAAI
errWilson, Timothy J.; McCarthy, Erika; Ekesan, Solen; Giese, Timothy J.; Li, Nan-Sheng; Huang, Lin; Piccirilli, Joseph A.; York, Darrin M.; Lilley, David M. J.
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err6
PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
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errSave
Surface-Accelerated String Method for Locating Minimum Free Energy Paths
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-17
err7
PREAI
errGiese, Timothy J.; Ekesan, Solen; McCarthy, Erika; Tao, Yujun; York, Darrin M.
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errSave
Catalytic mechanism and pH dependence of a methyltransferase ribozyme (MTR1) from computational enzymology
errNUCLEIC ACIDS RESEARCH
IF13.1
err2023-04-18
err8
errOAAI
errMcCarthy, Erika; Ekesan, Soelen; Giese, Timothy J.; Wilson, Timothy J.; Deng, Jie; Huang, Lin; Lilley, David M. J.; York, Darrin M.
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errSave
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-01-27
err4
PREAI
errWeissman, Benjamin; Ekesan, Solen; Lin, Hsuan-Chun; Gardezi, Shahbaz; Li, Nan-Sheng; Giese, Timothy J.; McCarthy, Erika; Harris, Michael E.; York, Darrin M.; Piccirilli, Joseph A.
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Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-16
err27
errOAAI
errGiese, Timothy J.; Zeng, Jinzhe; Ekesan, Solen; York, Darrin M.
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errSave
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-13
err62
errOAAI
errZeng, Jinzhe; Giese, Timothy J.; Ekesan, Solen; York, Darrin M.
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errSave
Dynamical ensemble of the active state and transition state mimic for the RNA-cleaving 8-17 DNAzyme in solution
errNUCLEIC ACIDS RESEARCH
IF13.1
err2019-09-12
err36
errOAAI
errEkesan, Solen; York, Darrin M.
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errSave
An Ontology for Facilitating Discussion of Catalytic Strategies of RNA-Cleaving Enzymes
errACS CHEMICAL BIOLOGY
IF3.8
err2019-05-16
err52
errOAAI
errBevilacqua, Philip C.; Harris, Michael E.; Piccirilli, Joseph A.; Gaines, Colin; Ganguly, Abir; Kostenbader, Ken; Ekesan, Solen; York, Darrin M.
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errSave
Transferable Pseudoclassical Electrons for Aufbau of Atomic Ions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2014-04-21
err18
errOAAI
errEkesan, Solen; Kale, Seyit; Herzfeld, Judith
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errSave
MCPath: Monte Carlo path generation approach to predict likely allosteric pathways and functional residues
errNUCLEIC ACIDS RESEARCH
IF13.1
err2013-06-05
err66
errOAAI
errKaya, Cihan; Armutlulu, Andac; Ekesan, Solen; Haliloglu, Turkan
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Research Directions

No research directions
Co-authors
Cooperation Journals
K
Kenneth M. Merz
H-index: 83 · Papers: 690
D
David M.J. Lilley
H-index: 82 · Papers: 499
D
Darrin M. York
H-index: 62 · Papers: 328
J
Judith Herzfeld
H-index: 62 · Papers: 246
P
Philip C. Bevilacqua
H-index: 61 · Papers: 239
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