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Jonathan Fine - Publications

Affiliations: 
2016- Chemistry Purdue University, West Lafayette, IN, United States 
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19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Beck AG, Fine J, Aggarwal P, Regalado EL, Levorse D, De Jesus Silva J, Sherer EC. Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals. Journal of Chromatography. A. 1730: 465109. PMID 38968662 DOI: 10.1016/j.chroma.2024.465109  0.641
2023 Prakash P, Manchanda P, Paouri E, Bisht K, Sharma K, Wijewardhane PR, Randolph CE, Clark MG, Fine J, Thayer EA, Crockett A, Gasmi N, Stanko S, Prayson RA, Zhang C, et al. Amyloid β Induces Lipid Droplet-Mediated Microglial Dysfunction in Alzheimer's Disease. Biorxiv : the Preprint Server For Biology. PMID 37333071 DOI: 10.1101/2023.06.04.543525  0.606
2023 Fine J, Wijewardhane PR, Mohideen SDB, Smith K, Bothe JR, Krishnamachari Y, Andrews A, Liu Y, Chopra G. Learning Relationships Between Chemical and Physical Stability for Peptide Drug Development. Pharmaceutical Research. PMID 36797504 DOI: 10.1007/s11095-023-03475-3  0.705
2022 Falls Z, Fine J, Chopra G, Samudrala R. Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCK. Frontiers in Chemistry. 9: 775513. PMID 35111726 DOI: 10.3389/fchem.2021.775513  0.503
2021 Guttenplan KA, Weigel MK, Prakash P, Wijewardhane PR, Hasel P, Rufen-Blanchette U, Münch AE, Blum JA, Fine J, Neal MC, Bruce KD, Gitler AD, Chopra G, Liddelow SA, Barres BA. Neurotoxic reactive astrocytes induce cell death via saturated lipids. Nature. PMID 34616039 DOI: 10.1038/s41586-021-03960-y  0.698
2020 Fine JA, Rajasekar AA, Jethava KP, Chopra G. Spectral deep learning for prediction and prospective validation of functional groups. Chemical Science. 11: 4618-4630. PMID 34122917 DOI: 10.1039/c9sc06240h  0.729
2020 Fine J, Kuan-Yu Liu J, Beck A, Alzarieni KZ, Ma X, Boulos VM, Kenttämaa HI, Chopra G. Graph-based machine learning interprets and predicts diagnostic isomer-selective ion-molecule reactions in tandem mass spectrometry. Chemical Science. 11: 11849-11858. PMID 34094414 DOI: 10.1039/d0sc02530e  0.705
2020 Jethava KP, Fine J, Chen Y, Hossain A, Chopra G. Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of -Sulfonylimines toward Fast Multicomponent Reactions. Organic Letters. PMID 33074678 DOI: 10.1021/acs.orglett.0c03083  0.735
2020 Robertson MA, Padgett LR, Fine JA, Chopra G, Mastracci TL. Targeting polyamine biosynthesis to stimulate beta cell regeneration in zebrafish. Islets. 1-9. PMID 32715853 DOI: 10.1080/19382014.2020.1791530  0.496
2020 Fine J, Muhoberac M, Fraux G, Chopra G. DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening. Journal of Chemical Information and Modeling. PMID 32639154 DOI: 10.1021/Acs.Jcim.0C00122  0.694
2020 Arya CK, Yadav S, Fine J, Casanal A, Chopra G, Ramanathan G, Vinothkumar KR, Subramanian R. A 2-Tyr-1-Carboxylate Mononuclear Iron Center is the Active Site of Dimethylformamidase. Angewandte Chemie (International Ed. in English). PMID 32452120 DOI: 10.1002/Anie.202005332  0.54
2020 Fine J, Konc J, Samudrala R, Chopra G. CANDOCK: Chemical Atomic Network-based Hierarchical Flexible Docking Algorithm using Generalized Statistical Potentials. Journal of Chemical Information and Modeling. PMID 32069042 DOI: 10.1021/Acs.Jcim.9B00686  0.558
2020 Arya CK, Yadav S, Fine J, Casanal A, Chopra G, Ramanathan G, Vinothkumar KR, Subramanian R. A 2‐Tyr‐1‐Carboxylate Mononuclear Iron Center is the Active Site of Dimethylformamidase Angewandte Chemie. DOI: 10.1002/Ange.202005332  0.507
2019 Fine J, Lackner R, Samudrala R, Chopra G. Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications. Scientific Reports. 9: 13155. PMID 31511563 DOI: 10.1038/S41598-019-49515-0  0.55
2019 Fine J, Chopra G. Lemon: a framework for rapidly mining structural information from the Protein Data Bank. Bioinformatics (Oxford, England). PMID 30873531 DOI: 10.1093/Bioinformatics/Btz178  0.551
2018 Fine JA, Chopra G. CANDOCK: Conformational Entropy Driven Analytics for Class-Specific Proteome-Wide Docking Biophysical Journal. 114: 57a. DOI: 10.1016/J.Bpj.2017.11.363  0.495
2017 Hernandez-Perez M, Chopra G, Fine J, Conteh AM, Anderson RM, Linnemann AK, Benjamin C, Nelson JB, Benninger KS, Nadler JL, Maloney DJ, Tersey SA, Mirmira RG. Inhibition of 12/15-Lipoxygenase Protects Against β Cell Oxidative Stress and Glycemic Deterioration in Mouse Models of Type 1 Diabetes. Diabetes. PMID 28842399 DOI: 10.2337/Db17-0215  0.56
2017 Ma X, Zhou J, Wang C, Carter-Cooper B, Yang F, Larocque E, Fine J, Tsuji G, Chopra G, Lapidus RG, Sintim HO. Identification of New FLT3 Inhibitors That Potently Inhibit AML Cell Lines via an Azo Click-It/Staple-It Approach. Acs Medicinal Chemistry Letters. 8: 492-497. PMID 28523099 DOI: 10.1021/Acsmedchemlett.6B00468  0.53
2017 Majumder J, Lantz T, Fine J, Chopra G. Abstract A35: Drug repurposing for castration resistant prostate cancer based on disease-disease relationships Cancer Research. 77. DOI: 10.1158/1538-7445.Transcontrol16-A35  0.698
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