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Edward Sherer
Edward Sherer
E-mail confirmado em merck.com
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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
4242019
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
2292020
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
1782018
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
1632020
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
1442017
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
1171999
Macrolide resistance from the ribosome perspective
F Franceschi, Z Kanyo, EC Sherer, J Sutcliffe
Current Drug Targets-Infectious Disorders 4 (3), 177-191, 2004
872004
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
812000
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
802017
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
732012
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
731999
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
682015
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
652007
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
652007
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
642003
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
612015
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
612014
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
602014
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
582020
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
542017
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