Design of an in vitro biocatalytic cascade for the manufacture of islatravir MA Huffman, A Fryszkowska, O Alvizo, M Borra-Garske, KR Campos, ... Science 366 (6470), 1255-1259, 2019 | 453 | 2019 |
The merger of decatungstate and copper catalysis to enable aliphatic C(sp3)–H trifluoromethylation PJ Sarver, V Bacauanu, DM Schultz, DA DiRocco, Y Lam, EC Sherer, ... Nature chemistry 12 (5), 459-467, 2020 | 246 | 2020 |
Computational prediction of chemical reactions: current status and outlook O Engkvist, PO Norrby, N Selmi, Y Lam, Z Peng, EC Sherer, W Amberg, ... Drug discovery today 23 (6), 1203-1218, 2018 | 182 | 2018 |
Deep dive into machine learning models for protein engineering Y Xu, D Verma, RP Sheridan, A Liaw, J Ma, NM Marshall, J McIntosh, ... Journal of chemical information and modeling 60 (6), 2773-2790, 2020 | 180 | 2020 |
A multifunctional catalyst that stereoselectively assembles prodrugs DA DiRocco, Y Ji, EC Sherer, A Klapars, M Reibarkh, J Dropinski, ... Science 356 (6336), 426-430, 2017 | 147 | 2017 |
Molecular dynamics studies of DNA A-tract structure and flexibility EC Sherer, SA Harris, R Soliva, M Orozco, CA Laughton Journal of the American Chemical Society 121 (25), 5981-5991, 1999 | 121 | 1999 |
Macrolide resistance from the ribosome perspective F Franceschi, Z Kanyo, EC Sherer, J Sutcliffe Current Drug Targets-Infectious Disorders 4 (3), 177-191, 2004 | 87 | 2004 |
Microscale high-throughput experimentation as an enabling technology in drug discovery: Application in the discovery of (Piperidinyl) pyridinyl-1 H-benzimidazole diacylglycerol … T Cernak, NJ Gesmundo, K Dykstra, Y Yu, Z Wu, ZC Shi, P Vachal, ... Journal of Medicinal Chemistry 60 (9), 3594-3605, 2017 | 85 | 2017 |
Molecular Dynamics Simulations of PNA⊙ DNA and PNA⊙ RNA Duplexes in Aqueous Solution R Soliva, E Sherer, FJ Luque, CA Laughton, M Orozco Journal of the American Chemical Society 122 (25), 5997-6008, 2000 | 82 | 2000 |
1, 3, 8-Triazaspiro [4.5] decane-2, 4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1–3 (HIF PHD1–3) for the treatment of anemia P Vachal, S Miao, JM Pierce, D Guiadeen, VJ Colandrea, MJ Wyvratt, ... Journal of medicinal chemistry 55 (7), 2945-2959, 2012 | 78 | 2012 |
Observation of spontaneous base pair breathing events in the molecular dynamics simulation of a difluorotoluene-containing DNA oligonucleotide E Cubero, EC Sherer, FJ Luque, M Orozco, CA Laughton Journal of the American Chemical Society 121 (37), 8653-8654, 1999 | 73 | 1999 |
Homodecoupled 1, 1‐and 1, n‐ADEQUATE: pivotal NMR experiments for the structure revision of Cryptospirolepine J Saurí, W Bermel, AV Buevich, EC Sherer, LA Joyce, MHM Sharaf, ... Angewandte Chemie 127 (35), 10298-10302, 2015 | 69 | 2015 |
Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies M Kabeláč, H Valdes, EC Sherer, CJ Cramer, P Hobza Physical Chemistry Chemical Physics 9 (36), 5000-5008, 2007 | 67 | 2007 |
Analysis of benzenoid substitution patterns in small molecule active pharmaceutical ingredients: Miniperspective A Nilova, LC Campeau, EC Sherer, DR Stuart Journal of Medicinal Chemistry 63 (22), 13389-13396, 2020 | 65 | 2020 |
Quantum Chemical Characterization of Methane Metathesis in L2MCH3 (L = H, Cl, Cp, Cp*; M = Sc, Y, Lu) EC Sherer, CJ Cramer Organometallics 22 (8), 1682-1689, 2003 | 64 | 2003 |
Modeling a crowdsourced definition of molecular complexity RP Sheridan, N Zorn, EC Sherer, LC Campeau, C Chang, J Cumming, ... Journal of chemical information and modeling 54 (6), 1604-1616, 2014 | 63 | 2014 |
Capture of reactive monophosphine-ligated palladium (0) intermediates by mass spectrometry Q Zheng, Y Liu, Q Chen, M Hu, R Helmy, EC Sherer, CJ Welch, H Chen Journal of the American Chemical Society 137 (44), 14035-14038, 2015 | 62 | 2015 |
Systematic approach to conformational sampling for assigning absolute configuration using vibrational circular dichroism EC Sherer, CH Lee, J Shpungin, JF Cuff, C Da, R Ball, R Bach, A Crespo, ... Journal of Medicinal Chemistry 57 (2), 477-494, 2014 | 60 | 2014 |
Ruthenium-catalyzed dynamic kinetic resolution asymmetric transfer hydrogenation of β-chromanones by an elimination-induced racemization mechanism ER Ashley, EC Sherer, B Pio, RK Orr, RT Ruck ACS Catalysis 7 (2), 1446-1451, 2017 | 54 | 2017 |
The PMI Predictor app to enable green-by-design chemical synthesis A Borovika, J Albrecht, J Li, AS Wells, C Briddell, BR Dillon, LJ Diorazio, ... Nature Sustainability 2 (11), 1034-1040, 2019 | 52 | 2019 |