Alan Cheng
Alan Cheng
Merck & Co, Brandeis University
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Structure-based maximal affinity model predicts small-molecule druggability
AC Cheng, RG Coleman, KT Smyth, Q Cao, P Soulard, DR Caffrey, ...
Nature biotechnology 25 (1), 71-75, 2007
Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains
AC Cheng, WW Chen, CN Fuhrmann, AD Frankel
Journal of molecular biology 327 (4), 781-796, 2003
Structure of the Catalytic Domain of Human Polo-like Kinase 1,
M Kothe, D Kohls, S Low, R Coli, AC Cheng, SL Jacques, TL Johnson, ...
Biochemistry 46 (20), 5960-5971, 2007
AMG 176, a selective MCL1 inhibitor, is effective in hematologic cancer models alone and in combination with established therapies
S Caenepeel, SP Brown, B Belmontes, G Moody, KS Keegan, D Chui, ...
Cancer discovery 8 (12), 1582-1597, 2018
Design of RNA-binding proteins and ligands
AC Cheng, V Calabro, AD Frankel
Current Opinion in Structural Biology 11 (4), 478-484, 2001
Structure guided design of a series of sphingosine kinase (SphK) inhibitors
DJ Gustin, Y Li, ML Brown, X Min, MJ Schmitt, M Wanska, X Wang, ...
Bioorganic & medicinal chemistry letters 23 (16), 4608-4616, 2013
Fragment Based Drug Discovery: Practical Implementation Based on 19F NMR Spectroscopy
JB Jordan, L Poppe, X Xia, AC Cheng, Y Sun, K Michelsen, H Eastwood, ...
Journal of medicinal chemistry 55 (2), 678-687, 2012
Identification of Allosteric PIF‐Pocket Ligands for PDK1 using NMR‐Based Fragment Screening and 1H‐15N TROSY Experiments
BJ Stockman, M Kothe, D Kohls, L Weibley, BJ Connolly, AL Sheils, ...
Chemical biology & drug design 73 (2), 179-188, 2009
Ab initio interaction energies of hydrogen-bonded amino acid side chain− nucleic acid base interactions
AC Cheng, AD Frankel
Journal of the American Chemical Society 126 (2), 434-435, 2004
Nitrogen-containing heterocyclyl ketones and methods of use
BK Albrecht, S Bellon, S Booker, AC Cheng, D D'amico, N D'angelo, ...
US Patent 8,314,087, 2012
Structure-and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer’s disease
H Huang, DS La, AC Cheng, DA Whittington, VF Patel, K Chen, ...
Journal of medicinal chemistry 55 (21), 9156-9169, 2012
Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
VJ Cee, AC Cheng, K Romero, S Bellon, C Mohr, DA Whittington, A Bak, ...
Bioorganic & Medicinal Chemistry Letters 19 (2), 424-427, 2009
Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use
R White, A Amegadzie, MC Bryan, JJ Chen, AC Cheng, T Dineen, ...
US Patent 8,426,447, 2013
An intuitive approach to measuring protein surface curvature
RG Coleman, MA Burr, DL Souvaine, AC Cheng
Proteins: Structure, Function, and Bioinformatics 61 (4), 1068-1074, 2005
Inhibitors of β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5′H-spiro[chromeno[2 …
TA Dineen, K Chen, AC Cheng, K Derakhchan, O Epstein, J Esmay, ...
Journal of medicinal chemistry 57 (23), 9811-9831, 2014
Discovery of 4-amino-5, 6-biaryl-furo [2, 3-d] pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR
EF DiMauro, J Newcomb, JJ Nunes, JE Bemis, C Boucher, JL Buchanan, ...
Bioorganic & medicinal chemistry letters 17 (8), 2305-2309, 2007
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
Structure-based identification of small molecule binding sites using a free energy model
RG Coleman, AC Salzberg, AC Cheng
Journal of chemical information and modeling 46 (6), 2631-2637, 2006
Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index
AC Cheng, J Eksterowicz, S Geuns-Meyer, Y Sun
Journal of medicinal chemistry 53 (11), 4502-4510, 2010
Discovery of potent and highly selective thienopyridine Janus kinase 2 inhibitors
LB Schenkel, X Huang, A Cheng, HL Deak, E Doherty, R Emkey, Y Gu, ...
Journal of medicinal chemistry 54 (24), 8440-8450, 2011
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