Volume 24, Issue 6-7

Search all Journal of Computer-Aided Molecular Design articles

June 2010

Perspectives in Drug Discovery and Design: Tautomers and Tautomerism/Editor: Yvonne C. Martin

14 articles in this issue

Overview of the perspectives devoted to tautomerism in molecular design
Yvonne Connolly Martin
OriginalPaper 29 April 2010 Pages: 473 - 474
Tautomerism in drug discovery
Alan R. Katritzky
C. Dennis Hall
Bogdan Draghici
OriginalPaper 20 May 2010 Pages: 475 - 484
So you think you understand tautomerism?
Roger A. Sayle
OriginalPaper 23 March 2010 Pages: 485 - 496
Tautomerism in chemical information management systems
Wendy A. Warr
OriginalPaper 06 April 2010 Pages: 497 - 520
Tautomerism in large databases
Markus Sitzmann
Wolf-Dietrich Ihlenfeldt
Marc C. Nicklaus
OriginalPaper Open access 29 May 2010 Pages: 521 - 551
Warfarin: history, tautomerism and activity
William R. Porter
OriginalPaper 30 March 2010 Pages: 553 - 573
Annular tautomerism: experimental observations and quantum mechanics calculations
Aurora J. Cruz-Cabeza
Adrian Schreyer
William R. Pitt
OriginalPaper 03 April 2010 Pages: 575 - 586
The effects of tautomerism on the nature of molecules in the solid state
Rodger F. Henry
OriginalPaper 27 April 2010 Pages: 587 - 590
Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution
Jeremy R. Greenwood
David Calkins
John C. Shelley
OriginalPaper 31 March 2010 Pages: 591 - 604
Tautomers and reference 3D-structures: the orphans of in silico drug design
Timothy Clark
OriginalPaper 27 March 2010 Pages: 605 - 611
Tautomerism, Hammett σ, and QSAR
Yvonne Connolly Martin
OriginalPaper 18 March 2010 Pages: 613 - 616
Tautomers and topomers: challenging the uncertainties of direct physicochemical modeling
Richard D. Cramer
OriginalPaper 21 March 2010 Pages: 617 - 620
Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge
Andreas Klamt
Michael Diedenhofen
OriginalPaper 08 April 2010 Pages: 621 - 625
Combinatorial–computational–chemoinformatics (C³) approach to finding and analyzing low-energy tautomers
Maciej Haranczyk
Maciej Gutowski
OriginalPaper Open access 02 April 2010 Pages: 627 - 638

Volume 24, Issue 6-7

Overview of the perspectives devoted to tautomerism in molecular design

Tautomerism in drug discovery

So you think you understand tautomerism?

Tautomerism in chemical information management systems

Tautomerism in large databases

Warfarin: history, tautomerism and activity

Annular tautomerism: experimental observations and quantum mechanics calculations

The effects of tautomerism on the nature of molecules in the solid state

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

Tautomers and reference 3D-structures: the orphans of in silico drug design

Tautomerism, Hammett σ, and QSAR

Tautomers and topomers: challenging the uncertainties of direct physicochemical modeling

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge

Combinatorial–computational–chemoinformatics (C³) approach to finding and analyzing low-energy tautomers

Navigation