Iain Mclay: search on Z-Library

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1

GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors

Pastor, Manuel, Cruciani, Gabriele, McLay, Iain, Pickett, Stephen, Clementi, Sergio

Journal:

Journal of Medicinal Chemistry

Year:

2000

Language:

english

File:

PDF, 234 KB

english, 2000

2

Methods and principles in medicinal chemistry (Volume 2): Chemometric methods in molecular design: edited by Han van der Waterbeemd, VCH, 1995. DM 198 (xix + 359 pages) ISBN 3 527 30044 9

Journal:

Drug Discovery Today

Year:

1996

Language:

english

File:

PDF, 257 KB

english, 1996

3

Selective Endothelin A Receptor Antagonists. 4. Discovery and Structure−Activity Relationships of Stilbene Acid and Alcohol Derivatives 1-3

Astles, Peter C., Brown, Thomas J., Halley, Frank, Handscombe, Caroline M., Harris, Neil V., McCarthy, Clive, McLay, Iain M., Lockey, Peter, Majid, Tahir, Porter, Barry, Roach, Alan G., Smith, Christo

Journal:

Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 132 KB

english, 1998

4

The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist

Kevin P. Madauss, Randy K. Bledsoe, Iain Mclay, Eugene L. Stewart, Iain J. Uings, Gordon Weingarten, Shawn P. Williams

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2008

Language:

english

File:

PDF, 427 KB

english, 2008

5

Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions

Mpamhanga, Chidochangu P., Chen, Beining, McLay, Iain M., Ormsby, Daniel L., Lindvall, Mika K.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 569 KB

english, 2005

6

ChemInform Abstract: RPR203494 a Pyrimidine Analogue of the p38 Inhibitor RPR200765A with an Improved in vitro Potency.

Alan J. Collis, Martyn L. Foster, Frank Halley, Christopher Maslen, Iain M. McLay, Kenneth M. Page, E. Jane Redford, John E. Souness, Nicola E. Wilsher

Journal:

Year:

2001

File:

PDF, 32 KB

2001

7

Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment

Michael Devereux, Paul L. A. Popelier, Iain M. McLay

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 1.71 MB

english, 2009

8

The discovery of RPR 200765A, a p38 MAP kinase inhibitor displaying a good oral anti-arthritic efficacy

Iain M. McLay, Frank Halley, John E. Souness, Jeffrey McKenna, Veronique Benning, Mark Birrell, Brenda Burton, Maria Belvisi, Alan Collis, Alex Constan, Martyn Foster, David Hele, Zaid Jayyosi, Mike K

Journal:

Bioorganic & Medicinal Chemistry

Year:

2001

Language:

english

File:

PDF, 744 KB

english, 2001

9

Selective Endothelin A Receptor Antagonists. 3. Discovery and Structure−Activity Relationships of a Series of 4-Phenoxybutanoic Acid Derivatives

Astles, Peter C., Brealey, Clive, Brown, Thomas J., Facchini, Vincenzo, Handscombe, Caroline, Harris, Neil V., McCarthy, Clive, McLay, Iain M., Porter, Barry, Roach, Alan G., Sargent, Carol, Smith, Ch

Journal:

Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 362 KB

english, 1998

10

An Algorithm-Directed Two-Component Library Synthesized Via Solid-Phase Methodology Yielding Potent and Orally Bioavailable p38 MAP Kinase Inhibitors

McKenna, Jeffrey M., Halley, Frank, Souness, John E., McLay, Iain M., Pickett, Stephen D., Collis, Alan J., Page, Kenneth, Ahmed, Imtiaz

Journal:

Journal of Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 178 KB

english, 2002

11

Aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists

Heather A. Barnett, Diane M. Coe, Tony W.J. Cooper, Torquil I. Jack, Haydn T. Jones, Simon J.F. Macdonald, Iain M. McLay, Natalie Rayner, Rosemary Z. Sasse, Tracy J. Shipley, Phil A. Skone, Graham I.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2009

Language:

english

File:

PDF, 263 KB

english, 2009

12

Should medicinal chemists do molecular modelling?

Timothy J. Ritchie, Iain M. McLay

Journal:

Drug Discovery Today

Year:

2012

Language:

english

File:

PDF, 229 KB

english, 2012

13

Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design

Devereux, Mike, Popelier, Paul L. A., McLay, Iain M.

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 4.32 MB

english, 2009

14

New non peptidic C5a receptor antagonists

Peter C. Astles, Thomas J. Brown, Paul Cox, Frank Halley, Peter M. Lockey, Clive McCarthy, Iain M. McLay, Tahir N. Majid, Andrew D. Morley, Barry Porter, Andrew J. Ratcliffe, Roger J.A. Walsh

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1997

Language:

english

File:

PDF, 318 KB

english, 1997

15

Progesterone Receptor Ligand Binding Pocket Flexibility: Crystal Structures of the Norethindrone and Mometasone Furoate Complexes

Madauss, Kevin P., Deng, Su-Jun, Austin, Robert J. H., Lambert, Millard H., McLay, Iain, Pritchard, John, Short, Steven A., Stewart, Eugene L., Uings, Ian J., Williams, Shawn P.

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 1.69 MB

english, 2004

16

Identification of a non peptidic RANTES antagonist

Colin Bright, Thomas J. Brown, Paul Cox, Frank Halley, Peter Lockey, Iain M. McLay, Una Moore, Barry Porter, Robert J. Williams

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1998

Language:

english

File:

PDF, 200 KB

english, 1998

17

X-ray Crystal Structure of the Novel Enhanced-Affinity Glucocorticoid Agonist Fluticasone Furoate in the Glucocorticoid Receptor−Ligand Binding Domain ⊥

Biggadike, Keith, Bledsoe, Randy K., Hassell, Anne M., Kirk, Barrie E., McLay, Iain M., Shewchuk, Lisa M., Stewart, Eugene L.

Journal:

Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.43 MB

english, 2008

18

Modeling the pore structure of voltage-gated sodium channels in closed, open, and fast-inactivated conformation reveals details of site 1 toxin and local anesthetic binding

Holger Scheib, Iain McLay, Nicolas Guex, Jeff J. Clare, Frank E. Blaney, Tim J. Dale, Simon N. Tate, Graeme M. Robertson

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 339 KB

english, 2006

19

Synthesis and biological activity of trans-(.+-.)-N-methyl-2-(3-pyridyl)-2-tetrahydrothiopyrancarbothioamide 1-oxide (RP 49356) and analogs: a new class of potassium channel opener

Brown, Thomas J., Chapman, Robert F., Cook, David C., Hart, Terance W., McLay, Iain M., Jordan, Roy, Mason, Jonathan S., Palfreyman, Malcolm N., Walsh, Roger J. A.

Journal:

Journal of Medicinal Chemistry

Year:

1992

Language:

english

File:

PDF, 1.96 MB

english, 1992

20

Selective ET A Antagonists. 5. Discovery and Structure−Activity Relationships of Phenoxyphenylacetic Acid Derivatives

Astles, Peter C., Brown, Thomas J., Halley, Frank, Handscombe, Caroline M., Harris, Neil V., Majid, Tahir N., McCarthy, Clive, McLay, Iain M., Morley, Andrew, Porter, Barry, Roach, Alan G., Sargent, C

Journal:

Journal of Medicinal Chemistry

Year:

2000

Language:

english

File:

PDF, 294 KB

english, 2000

21

Analysis of Neighborhood Behavior in Lead Optimization and Array Design

Papadatos, George, Cooper, Anthony W. J., Kadirkamanathan, Visakan, Macdonald, Simon J. F., McLay, Iain M., Pickett, Stephen D., Pritchard, John M., Willett, Peter, Gillet, Valerie J.

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 4.90 MB

english, 2009

22

RPR203494 a pyrimidine analogue of the p38 inhibitor RPR200765A with an improved in vitro potency

Alan J Collis, Martyn L Foster, Frank Halley, Christopher Maslen, Iain M McLay, Kenneth M Page, E.Jane Redford, John E Souness, Nicola E Wilsher

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

23

Drug Rings Database with Web Interface. A Tool for Identifying Alternative Chemical Rings in Lead Discovery Programs

Lewell, Xiao Qing, Jones, Andrew C., Bruce, Craig L., Harper, Gavin, Jones, Matthew M., Mclay, Iain M., Bradshaw, John

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 1.17 MB

english, 2003

24

A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptors

Devereux, Mike, Popelier, Paul L. A., McLay, Iain M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 826 KB

english, 2009

25

Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions

Mpamhanga, Chidochangu P., Chen, Beining, McLay, Iain M., Willett, Peter

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 590 KB

english, 2006

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