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Li Xing
Li Xing
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Alıntı yapanlar
Alıntı yapanlar
Yıl
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
A Zhavoronkov, YA Ivanenkov, A Aliper, MS Veselov, VA Aladinskiy, ...
Nature biotechnology 37 (9), 1038-1040, 2019
9082019
Novel Methods for the Prediction of logP, pKa, and logD
L Xing, RC Glen
Journal of chemical information and computer sciences 42 (4), 796-805, 2002
2272002
Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat
JJ Lu, K Crimin, JT Goodwin, P Crivori, C Orrenius, L Xing, PJ Tandler, ...
Journal of medicinal chemistry 47 (24), 6104-6107, 2004
1932004
QSAR models for binding of estrogenic compounds to estrogen receptor α and β subtypes
W Tong, R Perkins, L Xing, WJ Welsh, DM Sheehan
Endocrinology 138 (9), 4022-4025, 1997
1851997
Current and future roles of artificial intelligence in medicinal chemistry synthesis
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
1582020
Kinase hinge binding scaffolds and their hydrogen bond patterns
L Xing, J Klug-Mcleod, B Rai, EA Lunney
Bioorganic & medicinal chemistry 23 (19), 6520-6527, 2015
1322015
Fluorine in drug design: a case study with fluoroanisoles
L Xing, DC Blakemore, A Narayanan, R Unwalla, F Lovering, RA Denny, ...
ChemMedChem 10 (4), 715-726, 2015
1282015
Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of ((S)-2,2-Difluorocyclopropyl)((1R,5S)-3-(2-((1-methyl-1H-pyrazol-4-yl …
A Fensome, CM Ambler, E Arnold, ME Banker, MF Brown, J Chrencik, ...
Journal of medicinal chemistry 61 (19), 8597-8612, 2018
1242018
Tasquinimod is an allosteric modulator of HDAC4 survival signaling within the compromised cancer microenvironment
JT Isaacs, L Antony, SL Dalrymple, WN Brennen, S Gerber, H Hammers, ...
Cancer research 73 (4), 1386-1399, 2013
1172013
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
S Iketani, F Forouhar, H Liu, SJ Hong, FY Lin, MS Nair, A Zask, Y Huang, ...
Nature communications 12 (1), 2016, 2021
992021
Predicting pKa by Molecular Tree Structured Fingerprints and PLS
L Xing, RC Glen, RD Clark
Journal of chemical information and computer sciences 43 (3), 870-879, 2003
932003
Strong solubilization of small molecules by triblock-copolymer micelles in selective solvents
L Xing, WL Mattice
Macromolecules 30 (6), 1711-1717, 1997
881997
Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay
CW Zapf, BS Gerstenberger, L Xing, DC Limburg, DR Anderson, ...
Journal of medicinal chemistry 55 (22), 10047-10063, 2012
852012
Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity
DP Walker, MP Zawistoski, MA McGlynn, JC Li, DW Kung, PC Bonnette, ...
Bioorganic & medicinal chemistry letters 19 (12), 3253-3258, 2009
852009
Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics
WF Lau, JM Withka, D Hepworth, TV Magee, YJ Du, GA Bakken, ...
Journal of computer-aided molecular design 25, 621-636, 2011
792011
2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo [d] imidazoles: Design and synthesis of a potent and isoform selective PKC-ζ inhibitor
JI Trujillo, JR Kiefer, W Huang, A Thorarensen, L Xing, NL Caspers, ...
Bioorganic & medicinal chemistry letters 19 (3), 908-911, 2009
782009
Evaluation and application of multiple scoring functions for a virtual screening experiment
L Xing, E Hodgkin, Q Liu, D Sedlock
Journal of computer-aided molecular design 18, 333-344, 2004
712004
Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase
SR Selness, RV Devraj, B Devadas, JK Walker, TL Boehm, RC Durley, ...
Bioorganic & medicinal chemistry letters 21 (13), 4066-4071, 2011
672011
Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804
L Xing, HS Shieh, SR Selness, RV Devraj, JK Walker, B Devadas, ...
Biochemistry 48 (27), 6402-6411, 2009
652009
Substituted pyridinones
B Devadas, J Walker, S Selness, T Boehm, R Durley, R Devraj, B Hickory, ...
US Patent App. 10/918,826, 2005
612005
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