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David A. Evans - Publications

Affiliations: 
2000-2004 Chemistry University of Cambridge, Cambridge, England, United Kingdom 
 2004-2006 Spirogen 
 2006- Eli Lilly, Indianapolis, IN, United States 
Area:
computational chemistry
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2006 Evans DA, Neidle S. Virtual screening of DNA minor groove binders. Journal of Medicinal Chemistry. 49: 4232-8. PMID 16821782 DOI: 10.1021/Jm0601957  0.418
2006 Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S. Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure. Bioorganic & Medicinal Chemistry Letters. 16: 15-9. PMID 16263285 DOI: 10.1016/J.Bmcl.2005.10.036  0.415
2005 Agbo JK, Leitner DM, Evans DA, Wales DJ. Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization. The Journal of Chemical Physics. 123: 124304. PMID 16392479 DOI: 10.1063/1.2011399  0.425
2004 Evans DA, Wales DJ, Dian BC, Zwier TS. The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics. The Journal of Chemical Physics. 120: 148-57. PMID 15267271 DOI: 10.1063/1.1626541  0.437
2004 Evans DA, Wales DJ. Folding of the GB1 hairpin peptide from discrete path sampling. The Journal of Chemical Physics. 121: 1080-90. PMID 15260643 DOI: 10.1063/1.1759317  0.426
2003 Evans DA, Wales DJ. The free energy landscape and dynamics of met-enkephalin Journal of Chemical Physics. 119: 9947-9955. DOI: 10.1063/1.1616515  0.433
2003 Evans DA, Wales DJ. Free energy landscapes of model peptides and proteins The Journal of Chemical Physics. 118: 3891-3897. DOI: 10.1063/1.1540099  0.433
2002 Dian BC, Longarte A, Mercier S, Evans DA, Wales DJ, Zwier TS. The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide Journal of Chemical Physics. 117: 10688-10702. DOI: 10.1063/1.1521132  0.422
2002 Mortenson PN, Evans DA, Wales DJ. Energy landscapes of model polyalanines The Journal of Chemical Physics. 117: 1363-1376. DOI: 10.1063/1.1484389  0.436
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