Zauhar, Randy: search on Z-Library

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1

Shape Signatures: speeding up computer aided drug discovery

Peter J. Meek, ZhiWei Liu, LiFeng Tian, Ching Y. Wang, William J. Welsh, Randy J. Zauhar

Journal:

Drug Discovery Today

Year:

2006

Language:

english

File:

PDF, 811 KB

english, 2006

2

SMART: A solvent-accessible triangulated surface generator for molecular graphics and boundary element applications

Randy J. Zauhar

Journal:

Journal of Computer-Aided Molecular Design

Year:

1995

Language:

english

File:

PDF, 2.10 MB

english, 1995

3

10.1038/85758

Zauhar, Randy J.

Journal:

Nature Biotechnology

Year:

2001

Language:

english

File:

PDF, 41 KB

english, 2001

4

10.1038/85763

Zauhar, Randy J.

Journal:

Nature Genetics

Year:

2001

Language:

english

File:

PDF, 58 KB

english, 2001

5

Cytotoxicity of Thiazolidinedione-, Oxazolidinedione- and Pyrrolidinedione-Ring Containing Compounds in HepG2 Cells

Keil, Alyssa M., Frederick, Douglas M., Jacinto, Erina Y., Kennedy, Erica L., Zauhar, Randy J., West, Nathan M., Tchao, Ruy, Harvison, Peter J.

Journal:

Toxicology in Vitro

Year:

2015

Language:

english

File:

PDF, 1.17 MB

english, 2015

6

RNA expression in human retina

Li, Mingyao, Zauhar, Randy J., Grazal, Clare, Curcio, Christine A., DeAngelis, Margaret M., Stambolian, Dwight

Journal:

Human Molecular Genetics

Year:

2017

Language:

english

File:

PDF, 487 KB

english, 2017

7

Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach

Nagarajan, Karthigeyan, Zauhar, Randy, Welsh, William J.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 725 KB

english, 2005

8

Studies on nitracrine and its nitro isomers devoted to tautomeric phenomena, structural and physicochemical features, as well as surrounding electrostatic potential

Rak, Janusz, Byażejowski, Jerzy, Zauhar, Randy J.

Journal:

Canadian Journal of Chemistry

Year:

1993

Language:

english

File:

PDF, 855 KB

english, 1993

9

Theoretical studies on the prototropic tautomerism, structure, and features of acridine and 9-acridinamine free bases and their protonated forms

Rak, Janusz, Blazejowski, Jerzy, Zauhar, Randy J.

Journal:

Journal of Organic Chemistry

Year:

1992

Language:

english

File:

PDF, 759 KB

english, 1992

10

An SH2 domain model of STAT5 in complex with phospho-peptides define “STAT5 Binding Signatures”

Gianti, Eleonora, Zauhar, Randy J.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2015

Language:

english

File:

PDF, 2.53 MB

english, 2015

11

Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery

Zauhar, Randy J., Gianti, Eleonora, Welsh, William J.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

12

Dual inhibition of Staphylococcus aureus DNA gyrase and topoisomerase IV activity by phenylalanine-derived (Z)-5-arylmethylidene rhodanines

Werner, Malela M., Patel, Bhargav A., Talele, Tanaji T., Ashby, Charles R., Li, Zhiyu, Zauhar, Randy J.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 4.90 MB

english, 2015

13

Ab initio rotational barriers and solvation free energies of fluorinated dimethyl ethers

Ronald A. Buono, Randy J. Zauhar, Carol A. Venanzi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 2.44 MB

english, 1996

14

Computational Studies on HIV-1 Protease Inhibitors: Influence of Calculated Inhibitor−Enzyme Binding Affinities on the Statistical Quality of 3D-QSAR CoMFA Models

Jayatilleke, Philippa R. N., Nair, Anil C., Zauhar, Randy, Welsh, William J.

Journal:

Journal of Medicinal Chemistry

Year:

2000

Language:

english

File:

PDF, 98 KB

english, 2000

15

Modeling Androgen Receptor Flexibility: A Binding Mode Hypothesis of CYP17 Inhibitors/Antiandrogens for Prostate Cancer Therapy

Gianti, Eleonora, Zauhar, Randy J.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

16

A fast and Space-efficient boundary element method for computing electrostatic and hydration effects in large molecules

Zauhar, Randy J., Varnek, Alexander

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 1.11 MB

english, 1996

17

Evidence for a strong selenium–aromatic interaction derived from crystallographic data and ab initio quantum chemical calculations

Izabela Hartman, Carlo A. Raia, Randy J. Zauhar

Journal:

Year:

2006

Language:

english

File:

PDF, 980 KB

english, 2006

18

Derivation of 13C chemical shift surfaces for the anomeric carbons of oligosaccharides and glycopeptides using ab

Chet W. Swalina, Randy J. Zauhar, Michael J. DeGrazia, Guillermo Moyna

Journal:

Journal of Biomolecular NMR

Year:

2001

Language:

english

File:

PDF, 347 KB

english, 2001

19

A new Boundary Element Formulation for Macromolecular Electrostatics

Zauhar, Randy, Tian, LiFeng

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 34 KB

english, 2011

20

Rapid Classification of CYP3A4 Inhibition Potential Using Support Vector Machine Approach

Zhou, Diansong, Liu, Ruifeng, Otmani, Sara, Grimm, Scott, Zauhar, Randy, Zamora, Ismael

Journal:

Letters in Drug Design & Discovery

Year:

2007

Language:

english

File:

PDF, 131 KB

english, 2007

21

Computational analysis of EBNA1 “druggability” suggests novel insights for Epstein-Barr virus inhibitor design

Gianti, Eleonora, Messick, Troy E., Lieberman, Paul M., Zauhar, Randy J.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2016

Language:

english

File:

PDF, 3.55 MB

english, 2016

22

Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach.

Karthigeyan Nagarajan, Randy Zauhar, William J. Welsh

Journal:

Year:

2005

File:

PDF, 8 KB

2005

23

Europium(III) luminescence and tyrosine to terbium(III) energy-transfer studies of invertebrate (octopus) calmodulin

Bruno, JoAnne, Horrocks, William D., Zauhar, Randy J.

Journal:

Year:

1992

Language:

english

File:

PDF, 1.42 MB

english, 1992

24

Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase

Werner, Malela M., Li, Zhiyu, Zauhar, Randy J.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 2.14 MB

english, 2014

25

Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method

Thomas Fox, Notker Rösch, Randy J. Zauhar

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 1.02 MB

english, 1993

26

Molecular Dynamics and Static Solvation Studies of Amiloride

Buono, Ronald A., Venanzi, Thomas J., Zauhar, Randy J., Luzhkov, Victor B., Venanzi, Carol A.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 2.12 MB

english, 1994

27

Shape Signatures: A New Approach to Computer-Aided Ligand- and Receptor-Based Drug Design

Zauhar, Randy J., Moyna, Guillermo, Tian, LiFeng, Li, ZhiJian, Welsh, William J.

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 1.20 MB

english, 2003

28

Molecular dynamics of a biophysical model for β2-adrenergic and G protein-coupled receptor activation

Lester A. Rubenstein, Randy J. Zauhar, Richard G. Lanzara

Journal:

Journal of Molecular Graphics and Modelling

Year:

2006

Language:

english

File:

PDF, 1.43 MB

english, 2006

29

Identification of Previously Unrecognized Antiestrogenic Chemicals Using a Novel Virtual Screening Approach

Wang, Ching Y., Ai, Ni, Arora, Sonia, Nagarajan, Karthigeyan, Zauhar, Randy, Young, Douglas, Welsh, William J.

Journal:

Chemical Research in Toxicology

Year:

2006

Language:

english

File:

PDF, 248 KB

english, 2006

30

Application of Screening Methods, Shape Signatures and Engineered Biosensors in Early Drug Discovery Process

Izabela Hartman, Alison R. Gillies, Sonia Arora, Christina Andaya, Nitya Royapet, William J. Welsh, David W. Wood, Randy J. Zauhar

Journal:

Pharmaceutical Research

Year:

2009

Language:

english

File:

PDF, 331 KB

english, 2009

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