TCNE-aniline charge transfer complex: ab initio and TDDFT investigations in gas phase Tapas MannaSumanta Bhattacharya Original Paper 27 January 2009 Pages: 885 - 895
A computational modeling and molecular dynamics study of the Michaelis complex of human protein Z-dependent protease inhibitor (ZPI) and factor Xa (FXa) Vasudevan ChandrasekaranChang Jun LeeLee G. Pedersen Original Paper 27 January 2009 Pages: 897 - 911
Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis Ivani PauliLuis Fernando Saraiva Macedo TimmersWalter Filgueira de Azevedo Jr. Original Paper 27 January 2009 Pages: 913 - 922
The effects of light-induced reduction of the photosystem II reaction center Peter PalencarTatyana PrudnikovaMichal Kuty Original Paper 27 January 2009 Pages: 923 - 933
Theoretical study of 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene: molecular properties and spectral characteristics Maciej SzaleniecRenata Tokarz-SobierajWacław Witko Original Paper 27 January 2009 Pages: 935 - 943
DFT and electrochemical studies on nortriptyline oxidation sites Renata A. de ToledoMauro C. SantosLuiz H. Mazo Original Paper 27 January 2009 Pages: 945 - 952
Formation and isomerization of dicyclopenta[de,mn]anthracene. Electronic Structure Study Sonja StankovićSvetlana MarkovićIvan Gutman Original Paper 29 January 2009 Pages: 953 - 958
Low-frequency vibrational modes and infrared absorbance of red, blue and green opsin Saravana Prakash ThirumuruganandhamHerbert M. Urbassek Original Paper 03 February 2009 Pages: 959 - 969
Evolutionarily evolved discriminators in the 3-TPR domain of the Toc64 family involved in protein translocation at the outer membrane of chloroplasts and mitochondria Oliver MirusTihana BiondaEnrico Schleiff Original Paper 06 February 2009 Pages: 971 - 982
Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligase Andrej PerdihUrban BrenTom Solmajer Original Paper 06 February 2009 Pages: 983 - 996
Mimicking direct protein–protein and solvent-mediated interactions in the CDP-methylerythritol kinase homodimer: a pharmacophore-directed virtual screening approach Victor Giménez-OyaÓscar VillacañasSantiago Imperial Original Paper 07 February 2009 Pages: 997 - 1007
Modeling negative ion defect migration through the gramicidin A channel Alexander V. NemukhinIlya A. KalimanAlexander A. Moskovsky Original Paper 07 February 2009 Pages: 1009 - 1012