David A. Evans

发表

Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts

A. Bender, S. Liggi, Georgios Drakakis, 2013, Molecular informatics.

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts.

R. Glen, A. Bender, S. Liggi, 2014, Future medicinal chemistry.

Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.

Aakash Chavan Ravindranath, A. Bender, S. Liggi, 2015, Molecular bioSystems.

Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis

A. Bender, Georgios Drakakis, Adam E. Hendry, 2014 .

Free energy landscapes of model peptides and proteins

David J. Wales, D. Wales, David A. Evans, 2003 .

Implications of fast-time scale dynamics of human DNA/RNA cytosine methyltransferases (DNMTs) for protein function

David A. Evans, A. Bronowska, Agnieszka K. Bronowska, 2010 .

The free energy landscape and dynamics of met-enkephalin

David J. Wales, D. Wales, David A. Evans, 2003 .

Energy landscapes of model polyalanines

David J. Wales, Paul N. Mortenson, D. Wales, 2002 .

3D QSAR Methods: Phase and Catalyst Compared.

Thompson N. Doman, David A. Thorner, Michael J. Bodkin, 2007 .

Crystal structures of the M1 and M4 muscarinic acetylcholine receptors

Arthur Christopoulos, Brian K. Kobilka, Mark G. Bures, 2016, Nature.

3D QSAR Methods: Phase and Catalyst Compared

David A. Evans, Thompson N. Doman, David A. Thorner, 2007, J. Chem. Inf. Model..

The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide

D. Wales, David A. Evans, S. Mercier, 2002 .

Identification and pharmacological profile of SPP1, a potent, functionally selective and brain penetrant agonist at muscarinic M1 receptors

David A. Evans, E. Sher, V. Barth, 2018, British journal of pharmacology.

Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat.

Andreas Bender, Georgios Drakakis, Suzanne C Brewerton, 2017, ACS chemical biology.

Discovery of selective RIO2 kinase small molecule ligand.

M. Vieth, David A. Evans, Thibault Varin, 2015, Biochimica et biophysica acta.

Janocchio—a Java applet for viewing 3D structures and calculating NMR couplings and NOEs

M. Bodkin, David A. Evans, G. Sharman, 2007, Magnetic resonance in chemistry : MRC.

Folding of the GB1 hairpin peptide from discrete path sampling.

David J Wales, D. Wales, David A. Evans, 2004, The Journal of chemical physics.

Current status of muscarinic M1 and M4 receptors as drug targets for neurodegenerative diseases

David A. Evans, C. Felder, L. Broad, 2018, Neuropharmacology.

ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database

George Papadatos, David A. Evans, David A. Thorner, 2013, Bioinform..

Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization.

D. Wales, D. Leitner, David A. Evans, 2005, The Journal of chemical physics.

Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2

David A. Evans, Matthew P. Baumgartner, David A. Evans, 2017, Journal of Computer-Aided Molecular Design.

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts.

R. Glen, A. Bender, Alexios Koutsoukas, 2014, Future medicinal chemistry.

Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts

A. Bender, Georgios Drakakis, Adam E. Hendry, 2013, Molecular informatics.

Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.

Hinrich W. H. Göhlmann, Aakash Chavan Ravindranath, A. Bender, 2015, Molecular bioSystems.