QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical properties Michael FernándezJulio Caballero Original Paper 10 January 2007 Pages: 465 - 476
Quantum chemical study of the mechanism of ethylene elimination in silylative coupling of olefins Marcin HoffmannBogdan Marciniec Original Paper 10 January 2007 Pages: 477 - 483
Cold-active enzymes studied by comparative molecular dynamics simulation Vojtěch SpiwokPetra LipovováBlanka Králová Original Paper 18 January 2007 Pages: 485 - 497
Aromatic C20F20 cage and its endohedral complexes X@C20F20 (X = H−, F−, Cl−, Br−, H, He) Cai-Yun ZhangHai-Shun WuHaijun Jiao Original Paper 26 January 2007 Pages: 499 - 503
CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide Alejandra FavilaMarco GalloDaniel Glossman-Mitnik Original Paper 27 January 2007 Pages: 505 - 518
3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists Yogesh D. AherAvantika AgrawalPrabha Garg Original Paper 16 February 2007 Pages: 519 - 529
Computational study of enantioselective interaction between C60 fullerene and its derivatives with L-histidine Bhajan Lal Original Paper 23 February 2007 Pages: 531 - 536
Adsorption and phase transitions in adsorbed systems: structural properties of CCl4 layers adsorbed on a graphite surface Marcin MarzecBogdan KuchtaLucyna Firlej Original Paper 28 February 2007 Pages: 537 - 542