A. P. Graves

发表

Decoys for docking.

B. Shoichet, R. Brenk, A. P. Graves, 2005, Journal of medicinal chemistry.

Rescoring docking hit lists for model cavity sites: predictions and experimental testing.

D. Case, B. Shoichet, M. Jacobson, 2008, Journal of molecular biology.

Predicting absolute ligand binding free energies to a simple model site.

K. Dill, D. Mobley, B. Shoichet, 2007, Journal of molecular biology.

EZH2 inhibition as a therapeutic strategy for lymphoma with EZH2-activating mutations

Yan Liu, Gopinath Ganji, Ryan G. Kruger, 2012, Nature.

EZH 2 inhibition as a therapeutic strategy for lymphoma with EZH 2-activating mutations

G. Ganji, A. P. Graves, L. Lafrance, 2012 .

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors

Agastya P. Bhati, P. Coveney, I. Wall, 2022, J. Chem. Inf. Model..

GRAM: A True Null Model for Relative Binding Affinity Predictions

A. P. Graves, Guanglei Cui, E. Manas, 2019, J. Chem. Inf. Model..

Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.

Tony W Dean, R. Annan, A. P. Graves, 2016, Structure.

A High-Throughput Dose-Response Cellular Thermal Shift Assay for Rapid Screening of Drug Target Engagement in Living Cells, Exemplified Using SMYD3 and IDO1

R. Annan, A. P. Graves, D. Mcnulty, 2018, SLAS discovery : advancing life sciences R & D.

Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.

J. Luengo, A. P. Graves, M. Pappalardi, 2019, ACS medicinal chemistry letters.

Inhibition of the Cardiomyocyte-Specific Kinase TNNI3K Limits Oxidative Stress, Injury, and Adverse Remodeling in the Ischemic Heart

A. P. Graves, M. Madesh, G. Gatto, 2013, Science Translational Medicine.

Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).

D. Holt, A. P. Graves, L. Shewchuk, 2015, Journal of medicinal chemistry.

Identi fi cation of Purines and 7 ‐ Deazapurines as Potent and Selective Type I Inhibitors of Troponin I ‐ Interacting Kinase ( TNNI 3 K )

D. Holt, A. P. Graves, L. Shewchuk, 2015 .

Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia

Peter A. Jones, Philip J. Chapman, P. Grandi, 2021, Nature Cancer.

Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2.

A. P. Graves, L. Lafrance, Christine Thompson, 2012, ACS medicinal chemistry letters.

Perspectives on the Discovery of Small-Molecule Modulators for Epigenetic Processes

Deepak Bandyopadhyay, Alan P. Graves, Simon F. Semus, 2012, Journal of biomolecular screening.

Mutation of A677 in histone methyltransferase EZH2 in human B-cell lymphoma promotes hypertrimethylation of histone H3 on lysine 27 (H3K27)

Yong Jiang, Gopinath Ganji, Alan P Graves, 2012, Proceedings of the National Academy of Sciences.

Activating Mutations of the EZH2 Histone Methyltransferase in Cancer

A. P. Graves, M. T. McCabe, R. Kruger, 2017 .

Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors.

D. Holt, A. P. Graves, G. Gatto, 2016, Journal of medicinal chemistry.

Cancer Biology and Signal Transduction A 687 V EZH 2 Is a Driver of Histone H 3 Lysine 27 ( H 3 K 27 ) Hypertrimethylation

M. Huddleston, R. Annan, A. P. Graves, 2014 .

Cancer Biology and Signal Transduction A 687 V EZH 2 Is a Driver of Histone H 3 Lysine 27 ( H 3 K 27 ) Hypertrimethylation

M. Huddleston, R. Annan, A. P. Graves, 2014 .

1 A 687 V EZH 2 is a driver of histone H 3 lysine 27 ( H 3 K 27 ) hyper-trimethylation

M. Huddleston, R. Annan, A. P. Graves, 2014 .

Discovery of GSK8612, a Highly Selective and Potent TBK1 Inhibitor.

Douglas W. Thomson, M. Bantscheff, G. Bergamini, 2019, ACS medicinal chemistry letters.

HLA-B*57:01 Confers Susceptibility to Pazopanib-Associated Liver Injury in Patients with Cancer

K. King, M. Nelson, Chun-Fang Xu, 2015, Clinical Cancer Research.

Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.

David L Mobley, Ken A Dill, Alan P Graves, 2009, Journal of molecular biology.

Discovery of a crystalline sulforaphane analog with good solid-state stability and engagement of the Nrf2 pathway in vitro and in vivo.

J. Boehm, A. P. Graves, Shuping Dong, 2019, Bioorganic & medicinal chemistry.

Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.

Douglas W. Thomson, Zhengrong Zhu, J. Boehm, 2022, Journal of medicinal chemistry.

Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38α, and B-Raf.

D. Holt, A. P. Graves, L. Shewchuk, 2021, Journal of medicinal chemistry.

GSK114: A selective inhibitor for elucidating the biological role of TNNI3K.

Alan P Graves, D. Holt, A. P. Graves, 2016, Bioorganic & medicinal chemistry letters.

4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors.

D. Holt, A. P. Graves, L. Shewchuk, 2018, Journal of medicinal chemistry.

HLA-B*57:01 Confers Susceptibility to Pazopanib-Associated Liver Injury in Patients with Cancer

K. King, M. Nelson, Chun-Fang Xu, 2015, Clinical Cancer Research.