Analysis of oligomeric proteins during unfolding by pH and temperature Pradip BhattacharyaTamil GaneshanAndrew Lynn Original Paper 11 February 2009 Pages: 1013 - 1025
Chemical function-based pharmacophore generation of selective κ-opioid receptor agonists by catalyst and phase Jing ZhangGuixia LiuYun Tang Original Paper 11 February 2009 Pages: 1027 - 1041
Theoretical study on the thermal decomposition of model compounds for Poly (dialkyl fumarate) Yanling WangXueye WangXinyu Peng Original Paper 11 February 2009 Pages: 1043 - 1049
Performance of Becke’s half-and-half functional for non-covalent interactions: energetics, geometries and electron densities Konstantinos GkionisJ. Grant HillJames A. Platts Original Paper 11 February 2009 Pages: 1051 - 1060
Theoretical kinetic study of the formation reactions of methanol and methyl hypohalites in the gas phase Katarzyna BrudnikAgnieszka A. GolaJerzy T. Jodkowski Original Paper 11 February 2009 Pages: 1061 - 1066
Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanes Amar SaalClaude August DaulOurida Ouamerali Original Paper 17 February 2009 Pages: 1067 - 1078
Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFT Zhijun ZuoWei HuangZhihong Li Original Paper 17 February 2009 Pages: 1079 - 1083
Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics Nnabuk O. EddyUdo J. IbokEl Sayed H. El Ashry Original Paper 19 February 2009 Pages: 1085 - 1092
Solvent accessible surface area approximations for rapid and accurate protein structure prediction Elizabeth DurhamBrent DorrJens Meiler Original Paper Open access 21 February 2009 Pages: 1093 - 1108
Ab Initio studies of receptor interactions with AMPA ((S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl) propionic acid ) and Kainic acid (2S-(2α,3β,4β))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid Elise ChampeilGloria ProniDanielle Sapse Original Paper 21 February 2009 Pages: 1109 - 1117
Optical and vibrational properties of 1,2-benzenedicarboxylic anhydride F. SafinejadC. D. ThompsonM. Asghari-Khiavi Original Paper 21 February 2009 Pages: 1119 - 1124
Homology modeling of a novel epoxide hydrolase (EH) from Aspergillus niger SQ-6: structure-activity relationship in expoxides inhibiting EH activity Quan LuoYuan YaoZe-Sheng Li Original Paper 21 February 2009 Pages: 1125 - 1132
Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z Isis Rodríguez-SanchezDaniel Glossman-MitnikE. Armando Zaragoza-Contreras Original Paper 21 February 2009 Pages: 1133 - 1143
Homology modeling of human α1β2γ2 and house fly β3 GABA receptor channels and Surflex-docking of fipronil Jin ChengXiu-Lian JuGen-Yan Liu Original Paper 24 February 2009 Pages: 1145 - 1153