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Functional characterization of a PROTAC directed against BRAF mutant V600E

Nature chemical biology, 2020-11, Vol.16 (11), p.1170

2020

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A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina

Chemical biology & drug design, 2016-04, Vol.87 (4), p.618-625

2016

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Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis

Journal of molecular biology, 2016-07, Vol.428 (15), p.3026-3042

2016

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Discovery of an MLLT1/3 YEATS Domain Chemical Probe

Angewandte Chemie (International ed.), 2018-12, Vol.57 (50), p.16302-16307

International ed. in English, 2018

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Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)

Journal of medicinal chemistry, 2016-03, Vol.59 (6), p.2478-2496

2016

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Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9

SLAS discovery, 2019-02, Vol.24 (2), p.133-141

2019

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In silico ligand‐based modeling of hBACE‐1 inhibitors

Chemical biology & drug design, 2018-03, Vol.91 (3), p.817-827

2018

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Efficient variable selection batch pruning algorithm for artificial neural networks

Chemometrics and intelligent laboratory systems, 2015-12, Vol.149, p.10-16

2015

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In silico ligand‐based modeling of h BACE ‐1 inhibitors

Chemical biology & drug design, 2018-03, Vol.91 (3), p.817-827

2018

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A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina

Current drug discovery technologies, 2015-09, Vol.12 (3), p.170

2015

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High Accuracy Prediction of PROTAC Complex Structures

Journal of the American Chemical Society, 2023-04, Vol.145 (13), p.7123-7135

2023

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The therapeutic relevance of the Kallikrein-Kinin axis in SARS-cov-2-induced vascular pathology

Critical reviews in clinical laboratory sciences, 2023-01, Vol.60 (1), p.25-40

2023

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Accurate ligand–protein docking in CASP15 using the ClusPro LigTBM server

Proteins, structure, function, and bioinformatics, 2023-12, Vol.91 (12), p.1822-1828

2023

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Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach

Organic letters, 2015-11, Vol.17 (22), p.5594-5597

2015

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De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX

Journal of medicinal chemistry, 2019-07, Vol.62 (13), p.6377-6390

2019

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Design, Synthesis, and Characterization of 4‑Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma

Journal of medicinal chemistry, 2021-08, Vol.64 (15), p.11129-11147

2021

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Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma

Journal of medicinal chemistry, 2020-09, Vol.63 (17), p.10061-10085

2020

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Development of small-molecule inhibitors that target protein–protein interactions in a transcription factor

Acta crystallographica. Section A, Foundations and advances, 2018-07, Vol.74 (a1), p.a405-a405

2018

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Phenolic Lipids Derived from Cashew Nut Shell Liquid to Treat Metabolic Diseases

Journal of medicinal chemistry, 2022-02, Vol.65 (3), p.1961-1978

2022

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Chemical Genetics Screen Identifies COPB2 Tool Compounds That Alters ER Stress Response and Induces RTK Dysregulation in Lung Cancer Cells

Journal of molecular biology, 2021-11, Vol.433 (23), p.167294-167294, Article 167294

2021

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Correction to “Design, Synthesis, and Characterization of 4‑Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma”

Journal of medicinal chemistry, 2022-01, Vol.65 (1), p.886-887

2022

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Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing

Chemical biology & drug design, 2018-07, Vol.92 (1), p.1272-1278

2018

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Abstract 7: Discovery of OICR-10268: A potent and selective BCL6 inhibitor

Cancer research (Chicago, Ill.), 2019-07, Vol.79 (13_Supplement), p.7-7

2019

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Functional characterization of a PROTAC directed against BRAF mutant V600E

A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina

Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis

Discovery of an MLLT1/3 YEATS Domain Chemical Probe

A drug discovery platform to identify compounds that inhibit EGFR triple mutants

Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)

Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9

In silico ligand‐based modeling of hBACE‐1 inhibitors

Efficient variable selection batch pruning algorithm for artificial neural networks

In silico ligand‐based modeling of h BACE ‐1 inhibitors

A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina

High Accuracy Prediction of PROTAC Complex Structures

The therapeutic relevance of the Kallikrein-Kinin axis in SARS-cov-2-induced vascular pathology

Accurate ligand–protein docking in CASP15 using the ClusPro LigTBM server

Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach

De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX

Discovery of Nanomolar DCAF1 Small Molecule Ligands

Design, Synthesis, and Characterization of 4‑Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma

Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma

Development of small-molecule inhibitors that target protein–protein interactions in a transcription factor

Phenolic Lipids Derived from Cashew Nut Shell Liquid to Treat Metabolic Diseases

Chemical Genetics Screen Identifies COPB2 Tool Compounds That Alters ER Stress Response and Induces RTK Dysregulation in Lung Cancer Cells

Correction to “Design, Synthesis, and Characterization of 4‑Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma”

Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing

Abstract 7: Discovery of OICR-10268: A potent and selective BCL6 inhibitor

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