David Evans
David Evans
DeepMind
Verified email at google.com
Title
Cited by
Cited by
Year
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
2232016
Folding of the GB1 hairpin peptide from discrete path sampling
DA Evans, DJ Wales
The Journal of chemical physics 121 (2), 1080-1090, 2004
1502004
Free energy landscapes of model peptides and proteins
DA Evans, DJ Wales
The Journal of chemical physics 118 (8), 3891-3897, 2003
1492003
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
1472002
Energy landscapes of model polyalanines
PN Mortenson, DA Evans, DJ Wales
The Journal of chemical physics 117 (3), 1363-1376, 2002
982002
The free energy landscape and dynamics of met-enkephalin
DA Evans, DJ Wales
The Journal of chemical physics 119 (18), 9947-9955, 2003
822003
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
802007
Virtual screening of DNA minor groove binders
DA Evans, S Neidle
Journal of medicinal chemistry 49 (14), 4232-4238, 2006
462006
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
432005
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
432004
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
362018
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
312015
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
272007
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
232013
An asymmetric C8/C8′-tripyrrole-linked sequence-selective pyrrolo [2, 1-c][1, 4] benzodiazepine (PBD) dimer DNA interstrand cross-linking agent spanning 11 DNA base pairs
AC Tiberghien, DA Evans, K Kiakos, CRH Martin, JA Hartley, DE Thurston, ...
Bioorganic & medicinal chemistry letters 18 (6), 2073-2077, 2008
222008
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
222005
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
142017
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
142006
Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naive Bayes Protein Target Prediction
G Drakakis, A Koutsoukas, S C. Brewerton, M J. Bodkin, D A. Evans, ...
Combinatorial Chemistry & High Throughput Screening 18, 323-330, 2015
122015
Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat
G Drakakis, KA Wafford, SC Brewerton, MJ Bodkin, DA Evans, A Bender
ACS Chemical Biology 12 (6), 1593-1602, 2017
112017
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Articles 1–20