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Kenneth M. Merz

the cleveland clinic

83H-index
690Paper Count
5.3WCitation Count
Published Papers 332
Publication Date
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Molecular Quantum Computations on a Protein
errJournal of Chemical Theory and Computation
IF5.5
err2026-06-04
err0
errOAAI
errAkhil Shajan; Danil Kaliakin; Fangchun Liang; Thaddeus Pellegrini; Hakan Doga; Subhamoy Bhowmik; Susanta Das; Antonio Mezzacapo; Mario Motta; Kenneth M. Merz Jr.
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Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
errOAAI
errRommie E. Amaro; Victor Batista; Jochen Blumberger; Yee Siew Choong; Clémence Corminboeuf; Zoe Cournia; Qiang Cui; Marco De Vivo; Francesco A. Evangelista; Yi Qin Gao; Debashree Ghosh; Xiao He; Olexandr Isayev; Syma Khalid; Johannes Kirchmair; John R. Kitchin; Haiyan Liu; Kevin J. Naidoo; Duc Nguyen; Ariane Nunes Alves; Giulia Palermo; Brett Savoie; Thereza A. Soares; Pratyush Tiwary; Guowei Wei; Xiao Zheng; Tong Zhu; Kenneth M. Merz Jr.; Laura Gagliardi
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Zinc-induced exposure of an LxL motif drives clathrin-mediated endocytosis of the zinc transceptor ZIP4
errJournal of Biological Chemistry
IF3.9
err2026-04-17
err0
errOAAI
errTianqi Wang; Chi Zhang; Yao Zhang; Majid Jafari; Kenneth M. Merz; Jian Hu
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errSave
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-06
err0
PREAI
errVikrant Tripathy; Etienne Palos; Kenneth M. Merz Jr.; Francesco Paesani; Andreas W. Götz
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Beyond Summary: Reviews That Shape the Field of Computational Molecular Sciences
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-26
err0
errOAAI
errThereza A. Soares; Kenneth Merz Jr.
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Reflections on the 65 Years of the Journal of Chemical Information and Modeling: Scientific Impact, Community, and the Evolution of Computational Molecular Science
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-22
err0
PREAI
errSoares, Thereza A.; Merz Jr, Kenneth
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PEAS: An Application for Autonomous Precision Conformation Sampling
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-11-01
err0
PREAI
errKeng, Mithony; Merz Jr, Kenneth M.
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Biocatalytic Construction of a Chemical Exchange Saturation Transfer Magnetic Resonance Imaging Nucleoside Probe: Synthesis and Evaluation of 5-Methyl-5,6-Dihydrothymidine
errADVANCED SYNTHESIS & CATALYSIS
IF4
err2025-11-01
err0
errOAAI
errAl-Hilfi, Aimen; Franco, E. Alejandro Castellanos; Grady, Connor J.; Mohanta, Zinia; McMahon, Michael T.; Bazayeva, Milana; Li, Zhen; Merz Jr, Kenneth M.; Gilad, Assaf A.
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Accurate quantum-centric simulations of intermolecular interactions
errCommunications Physics
IF5.8
err2025-10-08
err0
errOAAI
errDanil Kaliakin; Akhil Shajan; Fangchun Liang; Javier Robledo Moreno; Zhen Li; Abhishek Mitra; Mario Motta; Caleb Johnson; Abdullah Ash Saki; Susanta Das; Iskandar Sitdikov; Antonio Mezzacapo; Kenneth M. Merz Jr
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Recent Developments in Amber Biomolecular Simulations
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
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Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-08
err0
PREAI
errAkhil Shajan; Danil Kaliakin; Abhishek Mitra; Javier Robledo Moreno; Zhen Li; Mario Motta; Caleb Johnson; Abdullah Ash Saki; Susanta Das; Iskandar Sitdikov; Antonio Mezzacapo; Kenneth M. Merz
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State Ensemble Energy Recognition (SEER): A Hybrid Gas-Phase Molecular Charge State Predictor
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-08
err0
errOAAI
errMithony Keng; Kenneth M. Merz Jr.
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errSave
Assigning Peptide Structure from Ion-Mobility Mass Spectrometry Collision Cross Section Data
errJournal of the American Society for Mass Spectrometry
IF2.7
err2025-07-07
err0
errOAAI
errMithony Keng; Kenneth M. Merz Jr.
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Implicit Solvent Sample-Based Quantum Diagonalization
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-16
err0
errOAAI
errKaliakin, Danil; Shajan, Akhil; Liang, Fangchun; Merz Jr, Kenneth M.
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Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal Cutinase
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-04-24
err0
errOAAI
errVidossich, Pietro; Manathunga, Madushanka; Gotz, Andreas W.; Merz Jr, Kenneth M.
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Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-03
err0
errOAAI
errJafari, Majid; Sagresti, Luca; Hu, Jian; Merz Jr, Kenneth M.
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errSave
Computational Chemistry in the Global South: A Latin American Perspective
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-25
err0
PREAI
errPantano, Sergio; Capece, Luciana; Gagliardi, Laura; Merz, Kenneth M.; Batista, Victor; Soares, Thereza A.
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Computational Chemistry in the Global South: A Latin American Perspective
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-24
err0
PREAI
errPantano, Sergio; Capece, Luciana; Gagliardi, Laura; Merz Jr, Kenneth M.; Batista, Victor; Soares, Thereza A.
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Integrating Machine Learning and Quantum Circuits for Proton Affinity Predictions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-17
err0
errOAAI
errJin, Hongni; Merz Jr, Kenneth M.
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In Silico Characterization of Glycan Ions from IM-MS Collision Cross Section
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2025-02-10
err0
errOAAI
errKeng, Mithony; Merz Jr, Kenneth M.
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Research Directions

No research directions
Co-authors
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