A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles

por Jain, Ajay N., Brueckner, Alexander C., Cleves, Ann E., Reibarkh, Mikhail, Sherer, Edward C.
Publicado 2023

Mining Chromatographic Enantioseparation Data Using Matched Molecular Pair Analysis

por Sheridan, Robert P., Piras, Patrick, Sherer, Edward C., Roussel, Christian, Pirkle, William H., Welch, Christopher J.
Publicado 2016

Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen

por Jain, Ajay N., Cleves, Ann E., Gao, Qi, Wang, Xiao, Liu, Yizhou, Sherer, Edward C., Reibarkh, Mikhail Y.
Publicado 2019

Direct regioisomer analysis of crude reaction mixtures via molecular rotational resonance (MRR) spectroscopy

por Joyce, Leo A., Schultz, Danielle M., Sherer, Edward C., Neill, Justin L., Sonstrom, Reilly E., Pate, Brooks H.
Publicado 2020

The protecting-group free selective 3′-functionalization of nucleosides

por McCabe Dunn, Jamie M., Reibarkh, Mikhail, Sherer, Edward C., Orr, Robert K., Ruck, Rebecca T., Simmons, Bryon, Bellomo, Ana
Publicado 2017

DELTA50: A Highly Accurate Database of Experimental (1)H and (13)C NMR Chemical Shifts Applied to DFT Benchmarking

por Cohen, Ryan D., Wood, Jared S., Lam, Yu-Hong, Buevich, Alexei V., Sherer, Edward C., Reibarkh, Mikhail, Williamson, R. Thomas, Martin, Gary E.
Publicado 2023

Beyond optical rotation: what's left is not always right in total synthesis

por Joyce, Leo A., Nawrat, Christopher C., Sherer, Edward C., Biba, Mirlinda, Brunskill, Andrew, Martin, Gary E., Cohen, Ryan D., Davies, Ian W.
Publicado 2017

Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC

por Wang, Yunyi, Fan, Aili, Cohen, Ryan D., Dal Poggetto, Guilherme, Huang, Zheng, Yang, Haifeng, Martin, Gary E., Sherer, Edward C., Reibarkh, Mikhail, Wang, Xiao
Publicado 2023

Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of Prevy...

por Metsänen, Toni T., Lexa, Katrina W., Santiago, Celine B., Chung, Cheol K., Xu, Yingju, Liu, Zhijian, Humphrey, Guy R., Ruck, Rebecca T., Sherer, Edward C., Sigman, Matthew S.
Publicado 2018

Identification and characterization of a residual host cell protein hexosaminidase B associated with N‐glycan degradation during the stability study of a therapeutic recombinant mo...

por Li, Xuanwen, An, Yan, Liao, Jing, Xiao, Li, Swanson, Michael, Martinez‐Fonts, Kirby, Pavon, Jorge Alexander, Sherer, Edward C., Jawa, Vibha, Wang, Fengqiang, Gao, Xinliu, Letarte, Simon, Richardson, Douglas D.
Publicado 2021

Unequivocal structure confirmation of a breitfussin analog by anisotropic NMR measurements

por Ndukwe, Ikenna E., Lam, Yu-hong, Pandey, Sunil K., Haug, Bengt E., Bayer, Annette, Sherer, Edward C., Blinov, Kirill A., Williamson, R. Thomas, Isaksson, Johan, Reibarkh, Mikhail, Liu, Yizhou, Martin, Gary E.
Publicado 2020

A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions

por Ji, Yining, Li, Hongming, Hyde, Alan M., Chen, Qinghao, Belyk, Kevin M., Lexa, Katrina W., Yin, Jingjun, Sherer, Edward C., Williamson, R. Thomas, Brunskill, Andrew, Ren, Sumei, Campeau, Louis-Charles, Davies, Ian W., Ruck, Rebecca T.
Publicado 2017