Computational chemistry in pharmaceutical research: at the crossroads (English)
- New search for: Bajorath, Jürgen
- New search for: Bajorath, Jürgen
In:
Journal of Computer-Aided Molecular Design
;
26
, 1
; 11-12
;
2011
-
ISSN:
- Article (Journal) / Print
-
Title:Computational chemistry in pharmaceutical research: at the crossroads
-
Contributors:Bajorath, Jürgen ( author )
-
Published in:Journal of Computer-Aided Molecular Design ; 26, 1 ; 11-12
-
Publisher:
- New search for: Springer Netherlands
- New search for: Springer/ESCOM
-
Place of publication:Dordrecht
-
Publication date:2011
-
ISSN:
-
ZDBID:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
- New search for: 44.42
- Further information on Basic classification
- New search for: 535/3155/3615
-
Keywords:
-
Classification:
BKL: 44.42 Pharmazeutische Chemie Local classification TIB: 535/3155/3615 -
Source:
Table of contents – Volume 26, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
-
Looking forward into the next 25 years: the 25th anniversary issue of the Journal of Computer-Aided Molecular DesignStouch, Terry Richard et al. | 2012
- 3
-
Limiting assumptions in structure-based design: binding entropyMarshall, Garland R. et al. | 2012
- 9
-
Computational chemistry in 25 yearsAbagyan, Ruben et al. | 2011
- 11
-
Computational chemistry in pharmaceutical research: at the crossroadsBajorath, Jürgen et al. | 2011
- 13
-
A very short history of structure-based design: how did we get here and where do we need to go?Blaney, Jeff et al. | 2011
- 15
-
The future of molecular dynamics simulations in drug discoveryBorhani, David W. / Shaw, David E. et al. | 2011
- 27
-
Democratization of computational chemistry and Chem(o)informaticsBrown, Frank K. et al. | 2011
- 29
-
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designClark, Robert D. / Waldman, Marvin et al. | 2011
- 35
-
The inevitable QSAR renaissanceCramer, Richard D. et al. | 2011
- 39
-
The great descriptor melting pot: mixing descriptors for the common good of QSAR modelsTseng, Yufeng J. / Hopfinger, Anton J. / Esposito, Emilio Xavier et al. | 2011
- 45
-
Reflections on the past 25 yearsGago, Federico et al. | 2011
- 47
-
Computational chemistry and cheminformatics: an essay on the futureGlen, Robert Charles et al. | 2011
- 51
-
Computer-aided molecular design under the SWOTlightGreen, Darren V. S. / Leach, Andrew R. / Head, Martha S. et al. | 2011
- 57
-
Does your model weigh the same as a Duck?Jain, Ajay N. / Cleves, Ann E. et al. | 2011
- 69
-
Computation, experiment and molecular designKenny, Peter W. et al. | 2011
- 73
-
Darwinian DockingKuntz, Irwin D. et al. | 2011
- 77
-
Gazing into the crystal ball; the future of computer-aided drug designMartin, Eric / Ertl, Peter / Hunt, Peter / Duca, Jose / Lewis, Richard et al. | 2011
- 81
-
Molecular simulation methods in drug discovery: a prospective outlookBarril, Xavier / Javier Luque, F. et al. | 2011
- 87
-
Is there a future for computational chemistry in drug research?Maggiora, Gerald M. et al. | 2011
- 91
-
Frozen out: molecular modeling in the age of cryocrystallographyMartin, Yvonne C. / Muchmore, Steven W. et al. | 2011
- 93
-
Let’s get honest about samplingMobley, David L. et al. | 2011
- 97
-
Alpha shockMurcko, Mark A. / Patrick Walters, W. et al. | 2012
- 103
-
The character of molecular modelingNicholls, Anthony et al. | 2011
- 107
-
Of possible cheminformatics futuresOprea, Tudor I. / Taboureau, Olivier / Bologa, Cristian G. et al. | 2011
- 113
-
Some thoughts on the “A” in computer-aided molecular designRarey, Matthias et al. | 2011
- 115
-
Designing the molecular futureSchneider, Gisbert et al. | 2011
- 121
-
Can we really do computer-aided drug design?Segall, Matthew et al. | 2011
- 125
-
The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 yearsStouch, Terry Richard et al. | 2012
- 135
-
The perspectives of computational chemistry modelingTetko, Igor V. et al. | 2011
- 137
-
Drug design for ever, from hype to hopeSeddon, G. / Lounnas, V. / McGuire, R. / den Bergh, T. / Bywater, R. P. / Oliveira, L. / Vriend, G. et al. | 2012
- 151
-
Silver threadsWarr, Wendy A. et al. | 2011
- 153
-
The Journal of Computer-Aided Molecular Design: a bibliometric noteWillett, Peter et al. | 2011
- 159
-
If we designed airplanes like we design drugs…Woltosz, Walter S. et al. | 2011