Edward C Sherer (Edward Sherer, R Thomas Williamson)

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 37

Top Topics

Molecular Dynamics Simulations

Capillary Electrophoresis

Density Functional Theory

Top Venues

Journal of medicinal chemistry

The Journal of organic chemistry

Chemical science

Organic letters

This page only lists publications with an associated author ORCID identifier.

Publications

Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry 66 (3) (2023)
Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry 66 (3) (2023)
Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry 66 (3) (2023)
Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry (2023)
Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry 66 (3) (2023)
Yunyi Wang, Aili Fan, Ryan D Cohen, Guilherme Dal Poggetto, Zheng Huang, Haifeng Yang, Gary E Martin, Edward C Sherer, Mikhail Y Reibarkh, Xiao Wang
Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC. Nature communications 14 (1) (2023)
Ajay N Jain, Alexander C Brueckner, Ann E Cleves, Mikhail Y Reibarkh, Edward C Sherer
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles. Journal of medicinal chemistry 66 (3) (2023)
Huifang Yao, Edward C Sherer, Mei Lu, James Small, Gary E Martin, Colin Yu-Hong Lam, Qinghao Chen, Roy Helmy, Yong Liu, Hao Chen
One-Step Regio- and Stereoselective Electrochemical Synthesis of Orexin Receptor Antagonist Oxidative Metabolites. The Journal of organic chemistry 87 (22) (2022)
Gioacchino Luca Losacco, Ryan D Cohen, Jimmy O DaSilva, Imad A Haidar Ahmad, Edward C Sherer, Ian Mangion, Erik L Regalado
Deuterated Modifiers in Sub/Supercritical Fluid Chromatography for Streamlined NMR Structure Elucidation. Analytical chemistry 94 (35) (2022)
Ryan D Cohen, Xiao Wang, Edward C Sherer, Gary E Martin
Application of 1,1-ADEQUATE and DFT to correct 13 C misassignments of carbonyl chemical shifts for carbapenem antibiotics. Magnetic resonance in chemistry : MRC 60 (10) (2022)
Simon Ng, Alexander C Brueckner, Soheila Bahmanjah, Qiaolin Deng, Jennifer M Johnston, Lan Ge, Ruchia Duggal, Bahanu Habulihaz, Benjamin Barlock, Sookhee Ha, Ahmad Sadruddin, Constance Yeo, Corey Strickland, Andrea Peier, Brian Henry, Edward C Sherer, Anthony W Partridge
Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1. Journal of medicinal chemistry (2022)
Alexei V Buevich, Cyndi Qixin He, Barbara Pio, Koppara Samuel, Kaushik Mitra, Edward C Sherer, Mark T Cancilla, Harry R Chobanian
Driving to a Better Understanding of Acyl Glucuronide Transformations Using NMR and Molecular Modeling. Chemical research in toxicology 35 (3) (2022)
Qi Gao, Ann E Cleves, Xiao Wang, Yizhou Liu, Sean Bowen, Robert Thomas Williamson, Ajay N Jain, Edward C Sherer, Mikhail Y Reibarkh
Solution cis -Proline Conformation of IPCs Inhibitor Aureobasidin A Elucidated via NMR-Based Conformational Analysis. Journal of natural products 85 (6) (2022)
Alexander C Brueckner, Qiaolin Deng, Ann E Cleves, Charles A Lesburg, Juan C Alvarez, Mikhail Y Reibarkh, Edward C Sherer, Ajay N Jain
Conformational Strain of Macrocyclic Peptides in Ligand-Receptor Complexes Based on Advanced Refinement of Bound-State Conformers. Journal of medicinal chemistry 64 (6) (2021)
Unwoo Kang, Laura K Cartner, Dongdong Wang, Chang-Kwon Kim, Cheryl L Thomas, Girma M Woldemichael, Berkley E Gryder, John F Shern, Javed Khan, Cristiana Castello-Branco, Edward C Sherer, Xiao Wang, Erik L Regalado, Kirk R Gustafson
Denigrins and Dactylpyrroles, Arylpyrrole Alkaloids from a Dactylia sp. Marine Sponge. Journal of natural products 83 (11) (2020)
Patrick J Sarver, Vlad Bacauanu, Danielle M Schultz, Daniel A DiRocco, Yu-Hong Lam, Edward C Sherer, David W C MacMillan
The merger of decatungstate and copper catalysis to enable aliphatic C(sp3)-H trifluoromethylation. Nature chemistry 12 (5) (2020)
Aleksandra Nilova, Louis-Charles Campeau, Edward C Sherer, David R Stuart
Analysis of Benzenoid Substitution Patterns in Small Molecule Active Pharmaceutical Ingredients. Journal of medicinal chemistry 63 (22) (2020)
Ajay N Jain, Ann E Cleves, Alexander C Brueckner, Charles A Lesburg, Qiaolin Deng, Edward C Sherer, Mikhail Y Reibarkh
XGen: Real-Space Fitting of Complex Ligand Conformational Ensembles to X-ray Electron Density Maps. Journal of medicinal chemistry 63 (18) (2020)
Michael J J Recchia, Ryan D Cohen, Yizhou Liu, Edward C Sherer, James K Harper, Gary E Martin, Robert Thomas Williamson
"One-Shot" Measurement of Residual Chemical Shift Anisotropy Using Poly-γ-benzyl-l-glutamate as an Alignment Medium. Organic letters 22 (22) (2020)
Yuting Xu, Deeptak Verma, Robert P Sheridan, Andy Liaw, Junshui Ma, Nicholas M Marshall, John McIntosh, Edward C Sherer, Vladimir Svetnik, Jennifer M Johnston
Deep Dive into Machine Learning Models for Protein Engineering. Journal of chemical information and modeling 60 (6) (2020)
Mark A Huffman, Anna Fryszkowska, Oscar Alvizo, Margie Borra-Garske, Kevin R Campos, Keith A Canada, Paul N Devine, Da Duan, Jacob H Forstater, Shane T Grosser, Holst M Halsey, Gregory J Hughes, Junyong Jo, Leo A Joyce, Joshua N Kolev, Jack Liang, Kevin M Maloney, Benjamin F Mann, Nicholas M Marshall, Mark McLaughlin, Jeffrey C Moore, Grant S Murphy, Christopher C Nawrat, Jovana Nazor, Scott Novick, Niki R Patel, Agustina Rodriguez-Granillo, Sandra A Robaire, Edward C Sherer, Matthew D Truppo, Aaron M Whittaker, Deeptak Verma, Li Xiao, Yingju Xu, Hao Yang
Design of an in vitro biocatalytic cascade for the manufacture of islatravir. Science (New York, N.Y.) 366 (6470) (2020)
Leo A Joyce, Danielle M Schultz, Edward C Sherer, Justin L Neill, Reilly E Sonstrom, Brooks H Pate
Direct regioisomer analysis of crude reaction mixtures via molecular rotational resonance (MRR) spectroscopy. Chemical science 11 (24) (2020)
Zeus A De Los Santos, Leo A Joyce, Edward C Sherer, Christopher J Welch, Christian Wolf
Optical Chirality Sensing with a Stereodynamic Aluminum Biphenolate Probe. The Journal of organic chemistry 84 (8) (2018)
Toni T Metsänen, Katrina W Lexa, Celine B Santiago, Cheol K Chung, Yingju Xu, Zhijian Liu, Guy R Humphrey, Rebecca T Ruck, Edward C Sherer, Matthew S Sigman
Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of Prevymis™ (letermovir). Chemical science 9 (34) (2018)
Mihirbaran Mandal, Kaushik Mitra, Diane Grotz, Xinjie Lin, Jairam Palamanda, Pramila Kumari, Alexei V Buevich, John P Caldwell, Xia Chen, Kathleen Cox, Leonard Favreau, Lynn Hyde, Matthew E Kennedy, Reshma Kuvelkar, Xiaoxiang Liu, Robert D Mazzola, Eric Parker, Diane Rindgen, Edward C Sherer, Hongwu Wang, Zhaoning Zhu, Andrew W Stamford, Jared N Cumming
Overcoming Time-Dependent Inhibition (TDI) of Cytochrome P450 3A4 (CYP3A4) Resulting from Bioactivation of a Fluoropyrimidine Moiety. Journal of medicinal chemistry 61 (23) (2018)
Daniel Zewge, Gabor Butora, Edward C Sherer, David M Tellers, Daniel R Sidler, Joseph Gouker, Greg Copeland, Vasant Jadhav, Zhen Li, Joseph Armstrong, Ian W Davies
Post-Synthetic Modification of Oligonucleotides via Orthogonal Amidation and Copper Catalyzed Cycloaddition Reactions. Bioconjugate chemistry 29 (6) (2018)
Yong-Li Zhong, Ed Cleator, Zhijian Liu, Jianguo Yin, William J Morris, Mahbub Alam, Brian Bishop, Aaron M Dumas, John Edwards, Adrian Goodyear, Peter Mullens, Zhiguo Jake Song, Michael Shevlin, David A Thaisrivongs, Hongming Li, Edward C Sherer, Ryan D Cohen, Jingjun Yin, Lushi Tan, Nobuyoshi Yasuda, John Limanto, Antony Davies, Kevin R Campos
Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor. The Journal of organic chemistry 84 (8) (2018)
John Kong, Leo A Joyce, Jinchu Liu, Tiffany M Jarrell, J Chris Culberson, Edward C Sherer
Absolute configuration assignment of (+)-fluralaner using vibrational circular dichroism. Chirality 29 (12) (2017)
Cyndi Qixin He, Adam Simon, Colin Yu-Hong Lam, Andrew P J Brunskill, Nobuyoshi Yasuda, Jiajing Tan, Alan M Hyde, Edward C Sherer, Kendall N Houk
Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts. The Journal of organic chemistry 82 (16) (2017)
Daniel A DiRocco, Yining Ji, Edward C Sherer, Artis Klapars, Mikhail Y Reibarkh, James Dropinski, Rose Mathew, Peter E Maligres, Alan M Hyde, John Limanto, Andrew P J Brunskill, Rebecca T Ruck, Louis-Charles Campeau, Ian W Davies
A multifunctional catalyst that stereoselectively assembles prodrugs. Science (New York, N.Y.) 356 (6336) (2017)
Tim Cernak, Nathan J Gesmundo, Kevin Dykstra, Yang Yu, Zhicai Wu, Zhi-Cai Shi, Petr Vachal, Donald Sperbeck, Shuwen He, Beth Ann Murphy, Lisa Sonatore, Steven Williams, Maria Madeira, Andreas Verras, Maud Reiter, Claire Heechoon Lee, James Cuff, Edward C Sherer, Jeffrey Kuethe, Stephen Goble, Nicholas Perrotto, Shirly Pinto, Dong-Ming Shen, Ravi Nargund, James Balkovec, Robert J DeVita, Spencer D Dreher
Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors. Journal of medicinal chemistry 60 (9) (2017)
Alan Whitehead, Yong Zhang, Jamie McCabe Dunn, Edward C Sherer, Colin Yu-Hong Lam, John Stelmach, Aaron Sun, Melisa Shiroda, Robert K Orr, Sherman T Waddell, Subharekha Raghavan
Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones. Organic letters 19 (17) (2017)
Ignacio Aliagas, Raphaëlle Berger, Kristin Goldberg, Rachel T Nishimura, John Reilly, Paul Richardson, Daniel Richter, Edward C Sherer, Brian A Sparling, Marian C Bryan
Sustainable Practices in Medicinal Chemistry Part 2: Green by Design. Journal of medicinal chemistry 60 (14) (2017)
Yining Ji, Hongming Li, Alan M Hyde, Qinghao Chen, Kevin M Belyk, Katrina W Lexa, Jingjun Yin, Edward C Sherer, Edward C Sherer, Andrew Brunskill, Sumei Ren, Louis-Charles Campeau, Ian W Davies, Rebecca T Ruck
A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions. Chemical science 8 (4) (2017)
Feng Peng, Yonggang Chen, Cheng-Yi Chen, Peter G Dormer, Amude Kassim, Mark McLaughlin, Robert A Reamer, Edward C Sherer, Zhiguo J Song, Lushi Tan, Matthew T Tudge, Baoqiang Wan, John Y L Chung
Asymmetric Formal Synthesis of the Long-Acting DPP-4 Inhibitor Omarigliptin. The Journal of organic chemistry 82 (17) (2017)
Leo A Joyce, Christopher C Nawrat, Edward C Sherer, Mirlinda Biba, Andrew Brunskill, Gary E Martin, Ryan D Cohen, Ian W Davies
Beyond optical rotation: what's left is not always right in total synthesis. Chemical science 9 (2) (2017)
Jamie M McCabe Dunn, Mikhail Reibarkh, Edward C Sherer, Robert K Orr, Rebecca T Ruck, Bryon Simmons, Ana Bellomo
The protecting-group free selective 3'-functionalization of nucleosides. Chemical science 8 (4) (2017)