| Crystal structures of the M1 and M4 muscarinic acetylcholine receptors AC David M. Thal, Bingfa Sun, Dan Feng, Vindhya Nawaratne, Katie Leach ... Nature 531, 335-340, 2016 | 334 | 2016 |
| Free energy landscapes of model peptides and proteins DA Evans, DJ Wales The Journal of chemical physics 118 (8), 3891-3897, 2003 | 167 | 2003 |
| Folding of the GB1 hairpin peptide from discrete path sampling DA Evans, DJ Wales The Journal of chemical physics 121 (2), 1080-1090, 2004 | 158 | 2004 |
| The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide BC Dian, A Longarte, S Mercier, DA Evans, DJ Wales, TS Zwier The Journal of chemical physics 117 (23), 10688-10702, 2002 | 151 | 2002 |
| Energy landscapes of model polyalanines PN Mortenson, DA Evans, DJ Wales The Journal of chemical physics 117 (3), 1363-1376, 2002 | 100 | 2002 |
| 3D QSAR methods: phase and catalyst compared DA Evans, TN Doman, DA Thorner, MJ Bodkin Journal of chemical information and modeling 47 (3), 1248-1257, 2007 | 90 | 2007 |
| The free energy landscape and dynamics of met-enkephalin DA Evans, DJ Wales The Journal of chemical physics 119 (18), 9947-9955, 2003 | 85 | 2003 |
| Current status of muscarinic M1 and M4 receptors as drug targets for neurodegenerative diseases CC Felder, PJ Goldsmith, K Jackson, HE Sanger, DA Evans, AJ Mogg, ... Neuropharmacology 136, 449-458, 2018 | 77 | 2018 |
| Expression-based drug screening of neural progenitor cells from individuals with schizophrenia B Readhead, BJ Hartley, BJ Eastwood, DA Collier, D Evans, R Farias, ... Nature communications 9 (1), 4412, 2018 | 76 | 2018 |
| Design, synthesis and biological evaluation of ZC-423, a novel C2-aryl substituted pyrrolobenzodiazepine PBD) dimer. PW Howard, ZZ Chen, SJ Gregson, M Stephenson, S Klee, J Hartley, ... AMER ASSOC CANCER RESEARCH 11 (24), 9015S-9016S, 2005 | 55 | 2005 |
| Virtual screening of DNA minor groove binders DA Evans, S Neidle Journal of medicinal chemistry 49 (14), 4232-4238, 2006 | 48 | 2006 |
| The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics DA Evans, DJ Wales, BC Dian, TS Zwier The Journal of chemical physics 120 (1), 148-157, 2004 | 44 | 2004 |
| Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis AC Ravindranath, N Perualila-Tan, A Kasim, G Drakakis, S Liggi, ... Molecular BioSystems 11 (1), 86-96, 2015 | 39 | 2015 |
| Janocchio—a Java applet for viewing 3D structures and calculating NMR couplings and NOEs DA Evans, MJ Bodkin, SR Baker, GJ Sharman Magnetic Resonance in Chemistry 45 (7), 595-600, 2007 | 33 | 2007 |
| Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, ... Molecular Informatics 32 (11‐12), 1009-1024, 2013 | 26 | 2013 |
| Influence of vibrational energy flow on isomerization of flexible molecules: Incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization JK Agbo, DM Leitner, DA Evans, DJ Wales The Journal of chemical physics 123 (12), 124304, 2005 | 26 | 2005 |
| Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2 M Baumgartner, D Evans Journal of Computer-Aided Molecular Design, 2017 | 23 | 2017 |
| Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure NH Campbell, DA Evans, MPH Lee, GN Parkinson, S Neidle Bioorganic & medicinal chemistry letters 16 (1), 15-19, 2006 | 16 | 2006 |
| Discovery of selective RIO2 kinase small molecule ligand T Varin, AG Godfrey, T Masquelin, CA Nicolaou, DA Evans, M Vieth Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1854 (10), 1630-1636, 2015 | 15 | 2015 |
| Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis L Hosseini-Gerami, IA Higgins, DA Collier, E Laing, D Evans, ... BMC bioinformatics 24 (1), 1-28, 2023 | 12 | 2023 |
Andreas BenderProfessor for Molecular Informatics in Cambridge; Scientific Researcher Universitatea Babeș-BolyaiVerified email at cam.ac.uk
