S. Louise-May: search on Z-Library

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1

The impact of informatics and computational chemistry on synthesis and screening

Charles J Manly, Shirley Louise-May, Jack D Hammer

Journal:

Drug Discovery Today

Year:

2001

Language:

english

File:

PDF, 126 KB

english, 2001

2

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

C. Prévost, S. Louise-May, G. Ravishanker, D. L Beveridge, R. Lavery

Journal:

Year:

1993

Language:

english

File:

PDF, 1.19 MB

english, 1993

3

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

C. Prévost, S. Louise-May, G. Ravishanker, R. Lavery, D.L. Beveridge

Journal:

Journal of Molecular Graphics

Year:

1992

Language:

english

File:

PDF, 300 KB

english, 1992

4

Small molecule inhibitors of E. coli primase, a novel bacterial target

Atul Agarwal, Shirley Louise-May, Jane A. Thanassi, Steven D. Podos, Jijun Cheng, Christy Thoma, Cuixian Liu, Jason A. Wiles, David M. Nelson, Avinash S. Phadke, Barton J. Bradbury, Milind S. Deshpand

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2007

Language:

english

File:

PDF, 438 KB

english, 2007

5

Discovery of novel dialkyl substituted thiophene inhibitors of HCV by in silico screening of the NS5B RdRp

Shirley Louise-May, Wengang Yang, Xingtie Nie, Dongmei Liu, Milind S. Deshpande, Avinash S. Phadke, Mingjun Huang, Atul Agarwal

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2007

Language:

english

File:

PDF, 395 KB

english, 2007

6

Using an in vitro cytotoxicity assay to aid in compound selection for in vivo safety studies

Nigel Greene, Michael D. Aleo, Shirley Louise-May, David A. Price, Yvonne Will

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 349 KB

english, 2010

7

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

Robert A. Beckman, David Moreland, Shirley Louise-May, Christine Humblet

Journal:

Journal of Computer-Aided Molecular Design

Year:

2006

Language:

english

File:

PDF, 438 KB

english, 2006

8

Calculations of nucleic acid conformations

Shirley Louise-May, Pascal Auffinger, Eric Westhof

Journal:

Current Opinion in Structural Biology

Year:

1996

Language:

english

File:

PDF, 1.09 MB

english, 1996

9

The computational prediction of genotoxicity

Naven, Russell T, Louise-May, Shirley, Greene, Nigel

Journal:

Expert Opinion on Drug Metabolism & Toxicology

Year:

2010

Language:

english

File:

PDF, 417 KB

english, 2010

10

Molecular Dynamics Simulations of Solvated Yeast tRNAAsp

Auffinger, Pascal, Louise-May, Shirley, Westhof, Eric

Journal:

Biophysical Journal

Year:

1999

Language:

english

File:

PDF, 611 KB

english, 1999

11

Chemotypes sensitivity and predictivity of in vivo outcomes for cytotoxic assays in THLE and HepG2 cell lines

Shah, Falgun, Louise-May, Shirley, Greene, Nigel

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 770 KB

english, 2014

12

Multiple Molecular Dynamics Simulations of the Anticodon Loop of tRNAAsp in Aqueous Solution with Counterions

Auffinger, Pascal, Louise-May, Shirley, Westhof, Eric

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 824 KB

english, 1995

13

Molecular Dynamics Simulations of the Anticodon Hairpin of tRNA Asp : Structuring Effects of C−H···O Hydrogen Bonds and of Long-Range Hydration Forces

Auffinger, Pascal, Louise-May, Shirley, Westhof, Eric

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 232 KB

english, 1996

14

Hydration of C?H groups in tRNA

Auffinger, Pascal, Louise-May, Shirley, Westhof, Eric

Journal:

Faraday Discussions

Year:

1996

Language:

english

File:

PDF, 1.77 MB

english, 1996

15

Computational toxicology: Its essential role in reducing drug attrition

Naven, R., Louise-May, S.

Journal:

Human & Experimental Toxicology

Year:

2015

Language:

english

File:

PDF, 196 KB

english, 2015

16

[AIP Advances in biomolecular simulations - Obernai (France) (1991)] AIP Conference Proceedings - Methodological considerations on molecular dynamics simulations of DNA oligonucleotides

Beveridge, D. L., Swaminathan, S., Ravishanker, G., Withka, J., Srinivasan, J., Prévost, C., Louise-May, S., DiCapua, F. M., Bolton, P. H.

Year:

1991

Language:

english

File:

PDF, 1.18 MB

english, 1991