The effect of salt concentration on DNA conformation transition: a molecular-dynamics study Chen SongYueyuan XiaYanyan Yin Original paper 21 October 2005 Pages: 249 - 254
Non-stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: a novel approach for computational in silico screening and “rational” selection of new lead antibacterial agents Yovani Marrero-PonceRicardo Medina MarreroRicardo Grau Abalo Original Paper 04 November 2005 Pages: 255 - 271
Theoretical study of the hydrogen-bonded complexes serotonin–water/hydrogen peroxide Vassil B. DelchevHans Mikosch Original paper 16 September 2005 Pages: 272 - 280
AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine Nadine HomeyerAnselm H. C. HornHeinrich Sticht Original paper 21 October 2005 Pages: 281 - 289
Ab initio and DFT study on the electrophilic addition of bromine to endo-tricyclo[3.2.1.02,4]oct-6-ene Rza AbbasogluSevil Savaskan Yilmaz Original paper 26 October 2005 Pages: 290 - 296
Prediction of toxicity using a novel RBF neural network training methodology Georgia MelagrakiAntreas AfantitisOlga Igglessi-Markopoulou OriginalPaper 08 November 2005 Pages: 297 - 305
QSTR with extended topochemical atom (ETA) indices. VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica) Kunal RoyGopinath Ghosh Original Paper 26 October 2005 Pages: 306 - 316
Molecular modeling of the GABAC receptor ligand-binding domain Neil J. HarrisonSarah C.R. Lummis Original paper 26 October 2005 Pages: 317 - 324
Model of the whole rat AT1 receptor and the ligand-binding site Camelia Baleanu-GogoneaSadashiva Karnik Original paper 11 January 2006 Pages: 325 - 337
Application of artificial neural networks for predicting the aqueous acidity of various phenols using QSAR Aziz Habibi-YangjehMohammad Danandeh-JenagharadMahdi Nooshyar Original paper 13 December 2005 Pages: 338 - 347
Molecular docking study on the “back door” hypothesis for product clearance in acetylcholinesterase Laleh AlisaraieGregor Fels Original Paper 09 December 2005 Pages: 348 - 354
Prediction of β-strand packing interactions using the signature product W. Michael BrownShawn MartinJean-Loup Faulon Original paper 07 December 2005 Pages: 355 - 361
HIV-1 GP120 V3 conformational and informational entropies Joel K. WeltmanGail SkowronGeorge B. Loriot Original paper 18 January 2006 Pages: 362 - 365
Acetylcholine nicotinic receptors: finding the putative binding site of allosteric modulators using the “blind docking” approach Bogdan IorgaDenyse HerlemCatherine Guillou Original paper 22 December 2005 Pages: 366 - 372