Molecular modelling and comparative structural account of aspartyl β-semialdehyde dehydrogenase of Mycobacterium tuberculosis (H37Rv) Anupama SinghHemant R. KushwahaPawan Sharma Original Paper 31 January 2008 Pages: 249 - 263
Minimum requirements of hydrophobic and hydrophilic features in cationic peptide antibiotics (CPAs): pharmacophore generation and validation with cationic steroid antibiotics (CSAs) Sandeep SundriyalRohit K. SharmaPrasad V. Bharatam Original Paper 13 February 2008 Pages: 265 - 278
Hydroxy-1,2,5-oxadiazolyl moiety as bioisoster of the carboxy function. A computational study on γ-aminobutyric acid (GABA) related compounds Paolo ToscoMarco L. Lolli Original Paper 05 February 2008 Pages: 279 - 291
Hologram and 3D-quantitative structure toxicity relationship studies of azo dyes F. A. PashaMuhammad MuddassarHoon Cho Original Paper 07 February 2008 Pages: 293 - 302
Exploring the binding pocket for pyridopyrimidine ligands at the CCK1 receptor by molecular docking Amel Toumi-MaoucheBoubekeur MaoucheBernard Maigret Original Paper 20 February 2008 Pages: 303 - 314
The theoretical investigation of one of the derivatives of 1, 2-dithienylcyclopentene as a molecular switch Mohammad Ali SafarpourSeyed Majid HashemianzadehAzam Kasaeian Original Paper 06 February 2008 Pages: 315 - 323
Molecular geometry, vibrations and electrode potentials of 2-(4,5-dihydroxy-2-methylphenyl)-2-phenyl-2H-indene-1,3-dione; experimental and theoretical attempts Siavash RiahiMohammad Reza GanjaliParviz Norouzi Original Paper 15 February 2008 Pages: 325 - 333