Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds Yovani Marrero-PonceAlfredo Meneses-MarcelVicente J. Arán OriginalPaper 16 May 2008 Pages: 523 - 540
Quantitative Series Enrichment Analysis (QSEA): a novel procedure for 3D-QSAR analysis Bernd WendtRichard D. Cramer OriginalPaper 27 February 2008 Pages: 541 - 551
Modeling dimerizations of transmembrane proteins using Brownian dynamics simulations Meng CuiMihaly MezeiRoman Osman OriginalPaper 13 March 2008 Pages: 553 - 561
Computational prediction of ion permeation characteristics in the glycine receptor modified by photo-sensitive compounds Mary Hongying ChengRob D. CoalsonMaria Kurnikova OriginalPaper 27 March 2008 Pages: 563 - 570
Visual exploration of structure–activity relationship using maximum common framework Sung Jin ChoYaxiong Sun OriginalPaper 13 March 2008 Pages: 571 - 578
A theoretical study of cis–trans isomerisation in H-ZSM5: probing the impact of cluster size and zeolite framework on energetics and structure Duangkamol Gleeson OriginalPaper 15 March 2008 Pages: 579 - 585
A grand vision for configurable science and minimizing the loss model Wendy A. Warr OriginalPaper 14 June 2008 Pages: 587 - 591