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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2435-2447

2012

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Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885

Cancer research (Chicago, Ill.), 2006-12, Vol.66 (23), p.11100-11105

2006

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The Bioactive Taxol Conformation on β-Tubulin: Experimental Evidence from Highly Active Constrained Analogs

Proceedings of the National Academy of Sciences - PNAS, 2004-07, Vol.101 (27), p.10006-10011

2004

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A Target Site for Template-Based Design of Measles Virus Entry Inhibitors

Proceedings of the National Academy of Sciences - PNAS, 2004-04, Vol.101 (15), p.5628-5633

2004

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An Efficient and Highly Diastereoselective Synthesis of GSK1265744, a Potent HIV Integrase Inhibitor

Organic letters, 2015-02, Vol.17 (3), p.564-567

2015

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The Identification and Pharmacological Characterization of 6‑(tert-Butylsulfonyl)‑N‑(5-fluoro‑1H‑indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase

Journal of medicinal chemistry, 2016-05, Vol.59 (10), p.4867-4880

2016

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Approaches to target tractability assessment - a practical perspective

MedChemComm, 2018-04, Vol.9 (4), p.606-613

2018

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Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction

ACS medicinal chemistry letters, 2021-09, Vol.12 (9), p.1396-1404

2021

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Structural Features of Paramyxovirus F Protein Required for Fusion Initiation

Biochemistry (Easton), 2003-06, Vol.42 (22), p.6645-6655

2003

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Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors

ACS medicinal chemistry letters, 2019-11, Vol.10 (11), p.1518-1523

2019

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3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent

ACS medicinal chemistry letters, 2018-12, Vol.9 (12), p.1164-1169

2018

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Evaluation of the Tubulin-Bound Paclitaxel Conformation: Synthesis, Biology, and SAR Studies of C-4 to C-3‘ Bridged Paclitaxel Analogues

Journal of medicinal chemistry, 2007-02, Vol.50 (4), p.713-725

2007

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Correction to Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel

ACS medicinal chemistry letters, 2020-06, Vol.11 (6), p.1353-1353

2020

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α-Turn Mimetics: Short Peptide α-Helices Composed of Cyclic Metallopentapeptide Modules

Journal of the American Chemical Society, 2004-04, Vol.126 (15), p.4828-4842

2004

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Dynamics and Fluidity of Amyloid Fibrils: A Model of Fibrous Protein Aggregates

Journal of the American Chemical Society, 2002-12, Vol.124 (51), p.15150-15151

2002

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On the Stability of a Single-Turn α-Helix: The Single versus Multiconformation Problem

Journal of the American Chemical Society, 2003-01, Vol.125 (3), p.632-633

2003

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Conformational Evolution: The Wiggling of Peptides into Amyloid

Structure, 2003-03, Vol.11 (3), p.242-242

2003

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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in Presence of Probe Molecules

Biophysical journal, 2013-01, Vol.104 (2), p.556a-556a

2013

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Approaches to target tractability assessment - a practical perspectiveAll authors contributed equally to this perspective

2018-04

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Approaches to target tractability assessment – a practical perspective† †All authors contributed equally to this perspective

MedChemComm, 2018-02, Vol.9 (4), p.606-613

2018

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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

RIP3 Induces Apoptosis Independent of Pronecrotic Kinase Activity

Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885

The Bioactive Taxol Conformation on β-Tubulin: Experimental Evidence from Highly Active Constrained Analogs

DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors

A Target Site for Template-Based Design of Measles Virus Entry Inhibitors

Structure–Activity and Structure–Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2‑Related Factor 2 (KEAP1/NRF2) Protein–Protein Interaction

An Efficient and Highly Diastereoselective Synthesis of GSK1265744, a Potent HIV Integrase Inhibitor

The Identification and Pharmacological Characterization of 6‑(tert-Butylsulfonyl)‑N‑(5-fluoro‑1H‑indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase

Approaches to target tractability assessment - a practical perspective

Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction

Structural Features of Paramyxovirus F Protein Required for Fusion Initiation

Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors

Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel

3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent

Evaluation of the Tubulin-Bound Paclitaxel Conformation: Synthesis, Biology, and SAR Studies of C-4 to C-3‘ Bridged Paclitaxel Analogues

Correction to Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel

α-Turn Mimetics: Short Peptide α-Helices Composed of Cyclic Metallopentapeptide Modules

Dynamics and Fluidity of Amyloid Fibrils: A Model of Fibrous Protein Aggregates

On the Stability of a Single-Turn α-Helix: The Single versus Multiconformation Problem

Conformational Evolution: The Wiggling of Peptides into Amyloid

Druggability Assessment of Allosteric Proteins by Dynamics Simulations in Presence of Probe Molecules

Approaches to target tractability assessment - a practical perspectiveAll authors contributed equally to this perspective

Approaches to target tractability assessment – a practical perspective† †All authors contributed equally to this perspective

Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors

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