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Editorial: Machine Learning in Materials Science.
Merz KM, Choong YS, Cournia Z, Isayev O, Soares TA, Wei GW, Zhu F. Merz KM, et al. J Chem Inf Model. 2024 May 27;64(10):3959-3960. doi: 10.1021/acs.jcim.4c00727. J Chem Inf Model. 2024. PMID: 38798192 No abstract available.
Binding of Phosphate Species to Ca2+ and Mg2+ in Aqueous Solution.
Koca Fındık B, Jafari M, Song LF, Li Z, Aviyente V, Merz KM Jr. Koca Fındık B, et al. Among authors: merz km jr. J Chem Theory Comput. 2024 May 28;20(10):4298-4307. doi: 10.1021/acs.jctc.4c00218. Epub 2024 May 8. J Chem Theory Comput. 2024. PMID: 38718258 Free PMC article.
Enhancing Coarse-Grained Models through Machine Learning.
Karmakar T, Soares TA, Merz KM Jr. Karmakar T, et al. Among authors: merz km jr. J Chem Inf Model. 2024 Apr 22;64(8):2931-2932. doi: 10.1021/acs.jcim.4c00537. J Chem Inf Model. 2024. PMID: 38644772 No abstract available.
Modeling Zinc Complexes Using Neural Networks.
Jin H, Merz KM Jr. Jin H, et al. Among authors: merz km jr. J Chem Inf Model. 2024 Apr 22;64(8):3140-3148. doi: 10.1021/acs.jcim.4c00095. Epub 2024 Apr 8. J Chem Inf Model. 2024. PMID: 38587510 Free PMC article.
Editorial: Machine Learning in Bio-cheminformatics.
Merz KM, Wei GW, Zhu F. Merz KM, et al. J Chem Inf Model. 2024 Apr 8;64(7):2125-2128. doi: 10.1021/acs.jcim.4c00444. J Chem Inf Model. 2024. PMID: 38587006 No abstract available.
Modeling Fe(II) Complexes Using Neural Networks.
Jin H, Merz KM Jr. Jin H, et al. Among authors: merz km jr. J Chem Theory Comput. 2024 Mar 26;20(6):2551-2558. doi: 10.1021/acs.jctc.4c00063. Epub 2024 Mar 5. J Chem Theory Comput. 2024. PMID: 38439716 Free PMC article.
Thermodynamics of Metal-Acetate Interactions.
Jafari M, Li Z, Song LF, Sagresti L, Brancato G, Merz KM Jr. Jafari M, et al. Among authors: merz km jr. J Phys Chem B. 2024 Jan 25;128(3):684-697. doi: 10.1021/acs.jpcb.3c06567. Epub 2024 Jan 16. J Phys Chem B. 2024. PMID: 38226860
466 results