List of works - Christopher W Murray

A ‘Rule of Three’ for fragment-based lead discovery? ⬇️

scientific article published on October 1, 2003

Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency

scientific article

Assessing the lipophilicity of fragments and early hits ⬇️

scientific article published on May 26, 2011

Comparing protein-ligand docking programs is difficult.

scientific article

Crystal Structure of Human Soluble Adenylate Cyclase Reveals a Distinct, Highly Flexible Allosteric Bicarbonate Binding Pocket

scientific article

Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design

scientific article published on 14 March 2019

Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.

scientific article

Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor.

scientific article published on 24 March 2017

Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function

scientific article

Docking performance of fragments and druglike compounds.

scientific article published on 6 July 2011

Efficient exploration of chemical space by fragment-based screening

scientific article

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

scientific article published on September 1, 1997

Experiences in fragment-based drug discovery ⬇️

scientific article published on March 27, 2012

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening

scientific article

Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).

scientific article published on 18 November 2016

Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors

scientific article published on 4 June 2015

Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2

scientific article published on 31 May 2018

Fragment-based lead discovery using X-ray crystallography.

scientific article published in January 2005

Fragment-to-Lead Medicinal Chemistry Publications in 2015.

scientific article

Modeling water molecules in protein-ligand docking using GOLD.

scientific article

Opportunity Knocks: Organic Chemistry for Fragment-Based Drug Discovery (FBDD)

scientific article published on 03 November 2015

Predicting "Hot" and "Warm" Spots for Fragment Binding

scientific article published on 4 April 2017

Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.

scientific article published in March 2005

The 'rule of three' for fragment-based drug discovery: where are we now? ⬇️

scientific article published on July 12, 2013

The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database

scientific article

Validity of ligand efficiency metrics.

scientific article published on 9 May 2014

List of works by Christopher W Murray

A ‘Rule of Three’ for fragment-based lead discovery? ⬇️

Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency

Assessing the lipophilicity of fragments and early hits ⬇️

Comparing protein-ligand docking programs is difficult.

Crystal Structure of Human Soluble Adenylate Cyclase Reveals a Distinct, Highly Flexible Allosteric Bicarbonate Binding Pocket

Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design

Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.

Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor.

Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function

Docking performance of fragments and druglike compounds.

Efficient exploration of chemical space by fragment-based screening

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

Experiences in fragment-based drug discovery ⬇️

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening

Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).

Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors

Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2

Fragment-based lead discovery using X-ray crystallography.

Fragment-to-Lead Medicinal Chemistry Publications in 2015.

Modeling water molecules in protein-ligand docking using GOLD.

Opportunity Knocks: Organic Chemistry for Fragment-Based Drug Discovery (FBDD)

Predicting "Hot" and "Warm" Spots for Fragment Binding

Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.

The 'rule of three' for fragment-based drug discovery: where are we now? ⬇️

The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database

Validity of ligand efficiency metrics.