Perspective
Open AccessDrug design for ever, from hype to hope
G. Seddon, V. Lounnas, R. McGuire, T. van den Bergh and R. P. Bywater, et al.
2012, Volume 26, Number 1, Pages 137-150
- Online First™Open Access
The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures
John Liebeschuetz, Jana Hennemann, Tjelvar Olsson and Colin R. Groom
Online First™, 13 January 2012
Perspective
Open AccessAlpha shock
Mark A. Murcko and W. Patrick Walters
2012, Volume 26, Number 1, Pages 97-102
- Online First™Open Access
The DINGO dataset: a comprehensive set of data for the SAMPL challenge
Janet Newman, Olan Dolezal, Vincent Fazio, Tom Caradoc-Davies and Thomas S. Peat
Online First™, 20 December 2011
Perspective
Open AccessThe future of molecular dynamics simulations in drug discovery
David W. Borhani and David E. Shaw
2012, Volume 26, Number 1, Pages 15-26
Perspective
Open AccessLions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design
Robert D. Clark and Marvin Waldman
2012, Volume 26, Number 1, Pages 29-34
Perspective
Open AccessIf we designed airplanes like we design drugs…
Walter S. Woltosz
2012, Volume 26, Number 1, Pages 159-163
Perspective
Open AccessThe inevitable QSAR renaissance
Richard D. Cramer
2012, Volume 26, Number 1, Pages 35-38
- Open Access
Qualitative prediction of blood–brain barrier permeability on a large and refined dataset
Markus Muehlbacher, Gudrun M. Spitzer, Klaus R. Liedl and Johannes Kornhuber
2011, Volume 25, Number 12, Pages 1095-1106
- Open Access
Modeling the pharmacodynamics of passive membrane permeability
Robert V. Swift and Rommie E. Amaro
2011, Volume 25, Number 11, Pages 1007-1017