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E

Edward C. Sherer

Merck & Co., Inc.

34H-index
141Paper Count
4.4KCitation Count
Published Papers 71
Publication Date
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CSCAN: Conformational Analysis of Macrocyclic Peptides through NMR Chemical Shifts
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-18
err0
PREAI
errAlexei V. Buevich; Yu-hong Lam; Qi Gao; Ajay N. Jain; Ann E. Cleves; Edward C. Sherer
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Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development
errAnalytical Chemistry
IF6.7
err2026-02-02
err0
PREAI
errArmen G. Beck; Gwenyth Jones; Andrew Singh; Jonathan Fine; Rojan Shrestha; Rodell C. Barrientos; Edward C. Sherer; Katharine B. Williams; Erik L. Regalado; Pankaj Aggarwal
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Bayesian hierarchical model predicts biopharmaceutical stability indicators and shelf life with application to multivalent human papillomavirus vaccine
errSCIENTIFIC REPORTS
IF3.9
err2025-05-19
err0
errOAAI
errFerrari, Federico; Berger, Jordan; Lemieux, Linda; Paduraru, Crina; Dillon, Michael; Liaw, Andy; Carrillo, Ralf; Wong, Sally; Salami, Hossein; Avalle, Paolo; Sherer, Edward; Richardson, Douglas; Skomski, Daniel
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Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-30
err0
PREAI
errBeck, Armen G.; Fine, Jonathan; Lam, Yu-hong; Sherer, Edward C.; Regalado, Erik L.; Aggarwal, Pankaj
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Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals
errJOURNAL OF CHROMATOGRAPHY A
IF4
err2024-08-01
err4
PREAI
errBeck, Armen G.; Fine, Jonathan; Aggarwal, Pankaj; Regalado, Erik L.; Levorse, Dorothy; Silva, Jordan De Jesus; Sherer, Edward C.
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errSave
Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts( vol 26 , pg 670 , 2022)
errORGANIC PROCESS RESEARCH & DEVELOPMENT
IF3.5
err2024-01-04
err0
PREAI
errLexa, Katrina W.; Belyk, Kevin M.; Henle, Jeremy; Xiang, Bangping; Sheridan, Robert P.; Denmark, Scott E.; Ruck, Rebecca T.; Sherer, Edward C.
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Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC
errNATURE COMMUNICATIONS
IF15.7
err2023-04-03
err7
errOAAI
errWang, Yunyi; Fan, Aili; Cohen, Ryan D.; Dal Poggetto, Guilherme; Huang, Zheng; Yang, Haifeng; Martin, Gary E.; Sherer, Edward C.; Reibarkh, Mikhail; Wang, Xiao
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DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking
errMOLECULES
IF4.6
err2023-03-07
err16
errOAAI
errCohen, Ryan D. D.; Wood, Jared S. S.; Lam, Yu-Hong; Buevich, Alexei V. V.; Sherer, Edward C. C.; Reibarkh, Mikhail; Williamson, R. Thomas; Martin, Gary E. E.
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A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2023-01-26
err6
errOAAI
errJain, Ajay N.; Brueckner, Alexander C.; Cleves, Ann E.; Reibarkh, Mikhail; Sherer, Edward C.
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One-Step Regio- and Stereoselective Electrochemical Synthesis of Orexin Receptor Antagonist Oxidative Metabolites
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-11-02
err5
errOAAI
errYao, Huifang; Sherer, Edward C.; Lu, Mei; Small, James; Martin, Gary E.; Lam, Yu-hong; Chen, Qinghao; Helmy, Roy; Liu, Yong; Chen, Hao
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Deuterated Modifiers in Sub/Supercritical Fluid Chromatography for Streamlined NMR Structure Elucidation
errANALYTICAL CHEMISTRY
IF6.7
err2022-08-24
err3
PREAI
errLosacco, Gioacchino Luca; Cohen, Ryan D.; DaSilva, Jimmy O.; Ahmad, Imad A. Haidar; Sherer, Edward C.; Mangion, Ian; Regalado, Erik L.
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errSave
Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2022-07-19
err5
PREAI
errNg, Simon; Brueckner, Alexander C.; Bahmanjah, Soheila; Deng, Qiaolin; Johnston, Jennifer M.; Ge, Lan; Duggal, Ruchia; Habulihaz, Bahanu; Barlock, Benjamin; Ha, Sookhee; Sadruddin, Ahmad; Yeo, Constance; Strickland, Corey; Peier, Andrea; Henry, Brian; Sherer, Edward C.; Partridge, Anthony W.
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Solution cis-Proline Conformation of IPCs Inhibitor Aureobasidin A Elucidated via NMR-Based Conformational Analysis
errJOURNAL OF NATURAL PRODUCTS
IF3.6
err2022-05-27
err9
PREAI
errGao, Qi; Cleves, Ann E.; Wang, Xiao; Liu, Yizhou; Bowen, Sean; Williamson, Robert Thomas; Jain, Ajay N.; Sherer, Edward; Reibarkh, Mikhail
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errSave
Driving Aspirational Process Mass Intensity Using Simple Structure-Based Prediction
errORGANIC PROCESS RESEARCH & DEVELOPMENT
IF3.5
err2022-04-18
err11
errOAAI
errSherer, Edward C.; Bagchi, Ansuman; Kosjek, Birgit; Maloney, Kevin M.; Peng, Zhengwei; Robaire, Sandra A.; Sheridan, Robert P.; Metwally, Essam; Campeau, Louis-Charles
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Driving to a Better Understanding of Acyl Glucuronide Transformations Using NMR and Molecular Modeling
errCHEMICAL RESEARCH IN TOXICOLOGY
IF3.8
err2022-02-14
err5
PREAI
errBuevich, Alexei, V; He, Cyndi Qixin; Pio, Barbara; Samuel, Koppara; Mitra, Kaushik; Sherer, Edward C.; Cancilla, Mark T.; Chobanian, Harry R.
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errSave
Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts
errORGANIC PROCESS RESEARCH & DEVELOPMENT
IF3.5
err2021-11-16
err16
PREAI
errLexa, Katrina W.; Belyk, Kevin M.; Henle, Jeremy; Xiang, Bangping; Sheridan, Robert P.; Denmark, Scott E.; Ruck, Rebecca T.; Sherer, Edward C.
errShare
errSave
Conformational Strain of Macrocyclic Peptides in Ligand-Receptor Complexes Based on Advanced Refinement of Bound-State Conformers
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2021-03-16
err11
errOAAI
errBrueckner, Alexander C.; Deng, Qiaolin; Cleves, Ann E.; Lesburg, Charles A.; Alvarez, Juan C.; Reibarkh, Mikhail Y.; Sherer, Edward C.; Jain, Ajay N.
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Denigrins and Dactylpyrroles, Arylpyrrole Alkaloids from a Dactylia sp. Marine Sponge
errJOURNAL OF NATURAL PRODUCTS
IF3.6
err2020-11-05
err26
errOAAI
errKang, Unwoo; Cartner, Laura K.; Wang, Dongdong; Kim, Chang-Kwon; Thomas, Cheryl L.; Woldemichael, Girma M.; Gryder, Berkley E.; Shern, John F.; Khan, Javed; Castello-Branco, Cristiana; Sherer, Edward C.; Wang, Xiao; Regalado, Erik L.; Gustafson, Kirk R.
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One-Shot Measurement of Residual Chemical Shift Anisotropy Using Poly-γ-benzyl-L-glutamate as an Alignment Medium
errORGANIC LETTERS
IF5
err2020-11-03
err10
PREAI
errRecchia, Michael J. J.; Cohen, Ryan D.; Liu, Yizhou; Sherer, Edward C.; Harper, James K.; Martin, Gary E.; Williamson, R. Thomas
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XGen: Real-Space Fitting of Complex Ligand Conformational Ensembles to X-ray Electron Density Maps
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-09-02
err9
errOAAI
errJain, Ajay N.; Cleves, Ann E.; Brueckner, Alexander C.; Lesburg, Charles A.; Deng, Qiaolin; Sherer, Edward C.; Reibarkh, Mikhail Y.
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Research Directions

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Co-authors
Cooperation Journals
K
K. N. Houk
H-index: 157 · Papers: 2.6K
P
Pavel Hobza
H-index: 115 · Papers: 704
C
Christopher J. Cramer
H-index: 110 · Papers: 864
S
Scott E. Denmark
H-index: 104 · Papers: 969
M
Matthew S. Sigman
H-index: 99 · Papers: 576
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