Shirley Louise‐May

Biochemistry, Genetics and Molecular Biology · Life Sciences

14h-index780citations22works0.02yr avg
OpenAlex↗Google Scholar↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

RNA and protein synthesis mechanisms(10), DNA and Nucleic Acid Chemistry(9), Computational Drug Discovery Methods(6), RNA modifications and cancer(4), Pharmacogenetics and Drug Metabolism(3)

Publications22 total

Computational toxicology
Human & Experimental Toxicology·2015· 25 cited
Chemotypes sensitivity and predictivity of in vivo outcomes for cytotoxic assays in THLE and HepG2 cell lines
Bioorganic & Medicinal Chemistry Letters·2014· 26 cited
Using an in vitro cytotoxicity assay to aid in compound selection for in vivo safety studies
Bioorganic & Medicinal Chemistry Letters·2010· 65 cited
The computational prediction of genotoxicity
Expert Opinion on Drug Metabolism & Toxicology·2010· 33 cited
Discovery of Novel Dialkyl Substituted Thiophene Inhibitors of HCV by in silico Screening of the NS5B RdRp.
ChemInform·2007
Discovery of novel dialkyl substituted thiophene inhibitors of HCV by in silico screening of the NS5B RdRp
Bioorganic & Medicinal Chemistry Letters·2007· 29 cited
Small molecule inhibitors of E. coli primase, a novel bacterial target
Bioorganic & Medicinal Chemistry Letters·2007· 44 cited
RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case
Journal of Computer-Aided Molecular Design·2006· 3 cited
The impact of informatics and computational chemistry on synthesis and screening
Drug Discovery Today·2001· 89 cited
Molecular Dynamics Simulations of Solvated Yeast tRNAAsp
Biophysical Journal·1999· 73 citedOpen Access
Normal Modes
Encyclopedia of Computational Chemistry·1998· 1 cited
Calculations of nucleic acid conformations
Current Opinion in Structural Biology·1996· 90 cited
RNA structure from molecular dynamics simulation
HAL (Le Centre pour la Communication Scientifique Directe)·1996
Molecular Dynamics Simulations of the Anticodon Hairpin of tRNA<sup>Asp</sup>:  Structuring Effects of C−H···O Hydrogen Bonds and of Long-Range Hydration Forces
Journal of the American Chemical Society·1996· 89 cited
Hydration of C—H groups in tRNA
Faraday Discussions·1996· 50 cited
Multiple Molecular Dynamics Simulations of the Anticodon Loop of tRNAAsp in Aqueous Solution with Counterions
Journal of the American Chemical Society·1995· 85 cited
Molecular Dynamics Investigations of the Local Structural Characteristics of DNA Oligonucleotides: Studies of Helical Axis Deformations, Conformational Sequence Dependence and Modified Nucleoside Perturbations.
PhDT·1994
Persistence analysis of the static and dynamical helix deformations of DNA oligonucleotides: Application to the crystal structure and molecular dynamics simulation of d(CGCGAATTCGCG)<sub>2</sub>
Biopolymers·1993· 24 cited
Persistence analysis of the static and dynamical helix deformations of DNA oligonucleotides: application to the crystal structure and molecular dynamics simulation of d(CGCGAATTCGCG)2.
HAL (Le Centre pour la Communication Scientifique Directe)·1993· 1 cited
Molecular Dynamics Simulations on the Hydration, Structure and Motions of DNA Oligomers
1993· 52 cited
page 1 of 2Next →

Frequent Co-authors

Pascal Auffinger(6), Éric Westhof(6), G. Ravishanker(5), Chantal Prévost(5), Nigel Greene(3), Atul Agarwal(3), Avinash Phadke(3), Milind Deshpande(3), Richard Lavery(3), D. L. Beveridge(2), S. Swaminathan(2), Jane M. Withka(2), J. Srinivasan(2), Frank M. DiCapua(2), P.H. Bolton(2), Wengang Yang(2), Xingtie Nie(2), Dongmei Liu(2), Mingjun Huang(2), D. L. Beveridge(2)