Works matching IS 0920654X AND DT 2010 AND VI 24 AND IP 6/7

Results: 14

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

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 621, doi. 10.1007/s10822-010-9332-x

By:

Klamt, Andreas;
Diedenhofen, Michael

Publication type:

Article

Tautomerism, Hammett σ, and QSAR.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 613, doi. 10.1007/s10822-010-9325-9

By:

Martin, Yvonne Connolly

Publication type:

Article

Tautomerism in large databases.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 521, doi. 10.1007/s10822-010-9346-4

By:

Sitzmann, Markus;
Ihlenfeldt, Wolf-Dietrich;
Nicklaus, Marc C.

Publication type:

Article

Tautomerism in drug discovery.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 475, doi. 10.1007/s10822-010-9359-z

By:

Katritzky, Alan R.;
Hall, C. Dennis;
El-Gendy, Bahaa El-Dien M.;
Draghici, Bogdan

Publication type:

Article

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

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 587, doi. 10.1007/s10822-010-9351-7

By:

Henry, Rodger F.

Publication type:

Article

Annular tautomerism: experimental observations and quantum mechanics calculations.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 575, doi. 10.1007/s10822-010-9345-5

By:

Cruz-Cabeza, Aurora J.;
Schreyer, Adrian;
Pitt, William R.

Publication type:

Article

Warfarin: history, tautomerism and activity.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 553, doi. 10.1007/s10822-010-9335-7

By:

Porter, William R.

Publication type:

Article

Tautomers and topomers: challenging the uncertainties of direct physicochemical modeling.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 617, doi. 10.1007/s10822-010-9330-z

By:

Cramer, Richard D.

Publication type:

Article

So you think you understand tautomerism?

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 485, doi. 10.1007/s10822-010-9329-5

By:

Sayle, Roger A.

Publication type:

Article

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

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 605, doi. 10.1007/s10822-010-9342-8

By:

Clark, Timothy

Publication type:

Article

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

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 591, doi. 10.1007/s10822-010-9349-1

By:

Greenwood, Jeremy R.;
Calkins, David;
Sullivan, Arron P.;
Shelley, John C.

Publication type:

Article

Combinatorial–computational–chemoinformatics (C<sup>3</sup>) approach to finding and analyzing low-energy tautomers.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 627, doi. 10.1007/s10822-010-9344-6

By:

Haranczyk, Maciej;
Gutowski, Maciej

Publication type:

Article

Tautomerism in chemical information management systems.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 497, doi. 10.1007/s10822-010-9338-4

By:

Warr, Wendy A.

Publication type:

Article

Overview of the perspectives devoted to tautomerism in molecular design.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 6/7, p. 473, doi. 10.1007/s10822-010-9357-1

By:

Martin, Yvonne Connolly

Publication type:

Article