A. Cheng

发表

Structure-based maximal affinity model predicts small-molecule druggability

Daniel R. Caffrey, Anna C. Salzberg, A. Cheng, 2007, Nature Biotechnology.

An intuitive approach to measuring protein surface curvature

D. Souvaine, A. Cheng, R. Coleman, 2005, Proteins.

Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index.

A. Cheng, J. Eksterowicz, Stephanie D. Geuns-Meyer, 2010, Journal of medicinal chemistry.

Improvement in ADMET Prediction with Multitask Deep Featurization.

Evan N. Feinberg, V. Pande, A. Cheng, 2020, Journal of medicinal chemistry.

Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors.

Renee Emkey, Alan C Cheng, A. Cheng, 2012, Journal of medicinal chemistry.

Discovery of a new class of integrin antibodies for fibrosis

A. Cheng, Shirly Pinto, S. Hollingsworth, 2020, Scientific Reports.

Discovery of a new class of integrin antibodies for fibrosis

A. Cheng, Shirly Pinto, S. Hollingsworth, 2020, Scientific Reports.

Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains.

Alan C Cheng, William W. Chen, A. Cheng, 2003, Journal of molecular biology.

Optimal charges in lead progression: a structure-based neuraminidase case study.

Bruce Tidor, Alan C Cheng, B. Tidor, 2006, Journal of medicinal chemistry.

Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors.

S. Kazmirski, A. Cheng, F. Féru, 2010, Bioorganic & medicinal chemistry letters.

Hexamerization of Anti-SARS CoV IgG1 Antibodies Improves Neutralization Capacity

Laura J. Kingsley, D. Grandy, A. Cheng, 2022, Frontiers in Immunology.

Fragment based drug discovery: practical implementation based on ¹⁹F NMR spectroscopy.

L. Poppe, J. B. Jordan, P. Schnier, 2012, Journal of medicinal chemistry.

Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious β-secretase inhibitors for the potential treatment of Alzheimer's disease.

S. Hitchcock, A. Cheng, Yuan Cheng, 2015, Bioorganic & medicinal chemistry letters.

Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.

P. Gallant, T. Bush, M. Morrison, 2010, Journal of medicinal chemistry.

Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms

A. Cheng, M. Peterson, R. Staples, 2011 .

Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1α.

P. McEwan, Yeon-Hee Lim, A. Cheng, 2022, Journal of medicinal chemistry.

Lead Optimization to Advance Protease-Activated Receptor-1 Antagonists in Early Discovery.

Walter A. Korfmacher, W. Greenlee, A. Cheng, 2022, Journal of medicinal chemistry.

Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.

T. Bush, A. Cheng, D. Whittington, 2011, Bioorganic & medicinal chemistry letters.

Novel Series of Potent Glucokinase Activators Leading to the Discovery of AM-2394.

A. Cheng, P. Coward, J. Medina, 2016, ACS medicinal chemistry letters.

Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2.

Xiao Mei Zheng, S. Hitchcock, A. Cheng, 2008, Bioorganic & Medicinal Chemistry Letters.

Benzodiazepinone Derivatives as CRTH2 Antagonists.

A. Cheng, J. Medina, J. Liu, 2011, ACS medicinal chemistry letters.

Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an α-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.

Sean P. Brown, A. Cheng, D. Whittington, 2019, Journal of medicinal chemistry.

Structure-guided Discovery of Dual-recognition Chemibodies

A. Cheng, Zhulun Wang, Xiaoshan Min, 2018, Scientific Reports.

Structure-guided Discovery of Dual-recognition Chemibodies

A. Cheng, Zhulun Wang, Xiaoshan Min, 2018, Scientific Reports.

Characterization and Modeling of Reversible Antibody Self-Association Provide Insights into Behavior, Prediction, and Correction

A. Cheng, Makiko Uchida, G. Raghunathan, 2021, Antibodies.

Discovery of alpha-amidosulfones as potent and selective agonists of CB2: synthesis, SAR, and pharmacokinetic properties.

S. Hitchcock, A. Cheng, R. Fremeau, 2009, Bioorganic & medicinal chemistry letters.

The Power of RAFT for Creating Polymers Having Imbedded Side-Chain Functionalities: Norbornenyl-Functionalized Polymers and their Transformations via ROMP and Thiol-ene Reactions

A. Cheng, K. Wooley, Jun Ma, 2009 .

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[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).

R. Wahl, A. Cheng, R. Fremeau, 2014, Journal of medicinal chemistry.

Lead optimization and modulation of hERG activity in a series of aminooxazoline xanthene β-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.

Xiao Mei Zheng, R. Wahl, A. Cheng, 2014, Journal of medicinal chemistry.

Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's disease.

R. Wahl, A. Cheng, R. Fremeau, 2012, Journal of medicinal chemistry.

Design of RNA-binding proteins and ligands.

A. Cheng, A. Frankel, A D Frankel, 2001, Current opinion in structural biology.

N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.

P. Gallant, A. Cheng, J. Newcomb, 2008, Bioorganic & medicinal chemistry letters.

Screening for lysine-specific demethylase-1 inhibitors using a label-free high-throughput mass spectrometry assay.

A. Cheng, A. Long, Hao Chen, 2011, Analytical biochemistry.

AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.

Sean P. Brown, Nick A. Paras, L. Poppe, 2018, Cancer discovery.

Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: alleviating hERG interactions through structure based design.

A. Cheng, Natasha M. Kablaoui, Snahel Patel, 2009, Bioorganic & medicinal chemistry letters.

Structure-Based Identification of Small Molecule Binding Sites Using a Free Energy Model

Alan C. Cheng, Ryan G. Coleman, Anna C. Salzberg, 2006, J. Chem. Inf. Model..

Structure of the catalytic domain of human polo-like kinase 1.

A. Cheng, T. Wynn, C. Lewis, 2007, Biochemistry.

Structure guided design of a series of sphingosine kinase (SphK) inhibitors.

Holger Wesche, Frank Kayser, Alan C Cheng, 2013, Bioorganic & medicinal chemistry letters.

Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.

Xin Huang, Christopher Mohr, Paul Hughes, 2009, Bioorganic & medicinal chemistry letters.

The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG‐out Conformation of p38α for High Throughput Screening Binding Assay

S. Kazmirski, A. Cheng, Qing Cao, 2009, Chemical biology & drug design.

Chapter 2 – Predicting Selectivity and Druggability in Drug Discovery

Alan C. Cheng, A. Cheng, 2008 .

Structural diversity and isomorphism of hydrogen-bonded base interactions in nucleic acids.

Alan C Cheng, A. Cheng, A. Frankel, 2003, Journal of molecular biology.

Ab initio interaction energies of hydrogen-bonded amino acid side chain[bond]nucleic acid base interactions.

Alan C Cheng, A. Cheng, A. Frankel, 2004, Journal of the American Chemical Society.

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery

Herman van Vlijmen, Richard Lewis, Deborah A. Loughney, 2016, Journal of Computer-Aided Molecular Design.

Identification of Allosteric PIF‐Pocket Ligands for PDK1 using NMR‐Based Fragment Screening and 1H‐15N TROSY Experiments

Maura E. Charlton, A. Cheng, Qing Cao, 2009, Chemical biology & drug design.

Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions

A. Cheng, Huanghao Mai, Megan A. Lim, 2022, J. Chem. Inf. Model..

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.

A. Cheng, J. Newcomb, Xin Huang, 2007, Bioorganic & medicinal chemistry letters.

Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.

T. Bush, A. Cheng, P. Andrews, 2012, Bioorganic & medicinal chemistry letters.

Discovery of potent and highly selective thienopyridine Janus kinase 2 inhibitors.

Xin Huang, Renee Emkey, A. Cheng, 2011, Journal of medicinal chemistry.

Experimental error, kurtosis, activity cliffs, and methodology: What limits the predictivity of QSAR models?

Meir Glick, Robert P Sheridan, Yuting Xu, 2020, Journal of chemical information and modeling.

On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes.

A. Cheng, R. Zaleśny, R. Góra, 2009, The journal of physical chemistry. B.

Correction: Structure-Based Druggability Assessment of the Mammalian Structural Proteome with Inclusion of Light Protein Flexibility

Avner Schlessinger, Andy Lin, Kathryn A Loving, 2014, PLoS Comput. Biol..

Structure-Based Druggability Assessment of the Mammalian Structural Proteome with Inclusion of Light Protein Flexibility

Andy Lin, Alan C. Cheng, Kathryn Loving, 2014, PLoS Comput. Biol..

Structure-guided Discovery of Dual-recognition Chemibodies

A. Cheng, Zhulun Wang, Xiaoshan Min, 2018, Scientific Reports.

Deep learning approaches in predicting ADMET properties.

Matthew Tudor, Alan C Cheng, Elena L Cáceres, 2020, Future medicinal chemistry.

Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants

A. Cheng, S. Hollingsworth, M. Bailly, 2023, Scientific reports.

Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization pdf

Vijay S. Pande, Alan C. Cheng, Robert Sheridan, 2019, ArXiv.

Transformations and algorithms for least sum of squares hypersphere fitting

Diane L. Souvaine, Michael A. Burr, Alan C. Cheng, 2004, CCCG.

Chapter 2 – Predicting Selectivity and Druggability in Drug Discovery

A. Cheng, 2008 .

Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: alleviating hERG interactions through structure based design.

A. Cheng, Natasha M. Kablaoui, Snahel Patel, 2009, Bioorganic & medicinal chemistry letters.

Identification of Allosteric PIF‐Pocket Ligands for PDK1 using NMR‐Based Fragment Screening and 1H‐15N TROSY Experiments

Maura E. Charlton, A. Cheng, Qing Cao, 2009, Chemical biology & drug design.

Structural insights into selective small molecule activation of PKG1α

P. McEwan, Yeon-Hee Lim, A. Cheng, 2023, Communications biology.