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Brad Sherborne
Brad Sherborne
Other namesBradley Sherborne, Bradley Stuart Sherborne
Director CADD, Structural Chemistry, Merck & Co., Inc
Verified email at merck.com
Title
Cited by
Cited by
Year
Rate-limited steps of human oral absorption and QSAR studies
YH Zhao, MH Abraham, J Le, A Hersey, CN Luscombe, G Beck, ...
Pharmaceutical research 19, 1446-1457, 2002
7902002
Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure–activity relationship (QSAR) with the Abraham descriptors
YH Zhao, J Le, MH Abraham, A Hersey, PJ Eddershaw, CN Luscombe, ...
Journal of pharmaceutical sciences 90 (6), 749-784, 2001
6172001
Selective small-molecule inhibition of an RNA structural element
JA Howe, H Wang, TO Fischmann, CJ Balibar, L Xiao, AM Galgoci, ...
Nature 526 (7575), 672-677, 2015
3712015
Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40
J Lu, N Byrne, J Wang, G Bricogne, FK Brown, HR Chobanian, SL Colletti, ...
Nature structural & molecular biology 24 (7), 570-577, 2017
1632017
Evaluation of rat intestinal absorption data and correlation with human intestinal absorption
YH Zhao, MH Abraham, J Le, A Hersey, CN Luscombe, G Beck, ...
European journal of medicinal chemistry 38 (3), 233-243, 2003
1322003
Toward fast and accurate binding affinity prediction with pmemdGTI: An efficient implementation of GPU-accelerated thermodynamic integration
TS Lee, Y Hu, B Sherborne, Z Guo, DM York
Journal of chemical theory and computation 13 (7), 3077-3084, 2017
1112017
Resonant excitation transfer: A quantum electrodynamical study
DL Andrews, BS Sherborne
The Journal of chemical physics 86 (7), 4011-4017, 1987
1061987
Pharmaceutically active 4, 6-disubstituted aminopyrimidine derivatives as modulators of protein kinases
A Choidas, A Backes, M Cotten, O Engkvist, B Felber, A Freisleben, ...
US Patent 8,084,457, 2011
902011
On the mechanism of human intestinal absorption
MH Abraham, YH Zhao, J Le, A Hersey, CN Luscombe, DP Reynolds, ...
European journal of medicinal chemistry 37 (7), 595-605, 2002
832002
Selection rules for optical activity and linear birefringence bilinear in electric and magnetic fields
HJ Ross, BS Sherborne, GE Stedman
Journal of Physics B: Atomic, Molecular and Optical Physics 22 (3), 459, 1989
741989
De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments
R Urich, G Wishart, M Kiczun, A Richters, N Tidten-Luksch, D Rauh, ...
ACS chemical biology 8 (5), 1044-1052, 2013
652013
Macrocyclic α helical peptide therapeutic modality: A perspective of learnings and challenges
TK Sawyer, AW Partridge, HYK Kaan, YC Juang, S Lim, C Johannes, ...
Bioorganic & Medicinal Chemistry 26 (10), 2807-2815, 2018
612018
Uncertainty quantification in alchemical free energy methods
AP Bhati, S Wan, Y Hu, B Sherborne, PV Coveney
Journal of chemical theory and computation 14 (6), 2867-2880, 2018
612018
Murgocil is a highly bioactive staphylococcal-specific inhibitor of the peptidoglycan glycosyltransferase enzyme MurG
PA Mann, A Müller, L Xiao, PM Pereira, C Yang, S Ho Lee, H Wang, ...
ACS chemical biology 8 (11), 2442-2451, 2013
602013
Inhibitor of intramembrane protease RseP blocks the σE response causing lethal accumulation of unfolded outer membrane proteins
A Konovalova, M Grabowicz, CJ Balibar, JC Malinverni, RE Painter, ...
Proceedings of the National Academy of Sciences 115 (28), E6614-E6621, 2018
592018
Mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2) as an antiinflammatory target: discovery and in vivo activity of selective pyrazolo [1, 5-a] pyrimidine …
T Kosugi, DR Mitchell, A Fujino, M Imai, M Kambe, S Kobayashi, ...
Journal of Medicinal Chemistry 55 (15), 6700-6715, 2012
592012
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery
B Sherborne, V Shanmugasundaram, AC Cheng, CD Christ, ...
Journal of Computer-Aided Molecular Design 30 (12), 1139-1141, 2016
572016
Incorporation of putative helix-breaking amino acids in the design of novel stapled peptides: Exploring biophysical and cellular permeability properties
AW Partridge, HYK Kaan, YC Juang, A Sadruddin, S Lim, CJ Brown, S Ng, ...
Molecules 24 (12), 2292, 2019
502019
Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening
SD Pickett, BS Sherborne, T Wilkinson, J Bennett, N Borkakoti, ...
Bioorganic & medicinal chemistry letters 13 (10), 1691-1694, 2003
492003
Molecular simulations identify binding poses and approximate affinities of stapled α-helical peptides to MDM2 and MDMX
JA Morrone, A Perez, Q Deng, SN Ha, MK Holloway, TK Sawyer, ...
Journal of chemical theory and computation 13 (2), 863-869, 2017
442017
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