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 chemistryYear | 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 | 0.425 | |||
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 | 0.432 | |||
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 | 0.432 | |||
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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