Distinct interactions between the human adrenergic β2 receptor and Gαs—an in silico study Andrea StraßerHans-Joachim Wittmann Original Paper 30 January 2010 Pages: 1307 - 1318
Evaluation of molecular descriptors and HPLC retention data of analgesic and anti-inflammatory drugs by factor analysis in relation to their pharmacological activity Marcin KobaJolanta StasiakTomasz Bączek Original Paper 01 February 2010 Pages: 1319 - 1331
Experimental and theoretical studies of the structure of tellurate-borate glasses network Simona RadaEugen CuleaManfred Neumann Original Paper 03 February 2010 Pages: 1333 - 1338
A modified phase-fitted and amplification-fitted Runge-Kutta-Nyström method for the numerical solution of the radial Schrödinger equation D. F. PapadopoulosZ. A. AnastassiT. E. Simos Original Paper 03 February 2010 Pages: 1339 - 1346
Photodimerizations of hydroxy- and benzoylated 4-azachalcones and quantum chemical investigation of the reactions Ahmet YaşarNuran YaylıNurettin Yaylı Original Paper 06 February 2010 Pages: 1347 - 1355
Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: A docking and molecular dynamics study M. ChaitanyaB. BabajanChitta Suresh Kumar Original Paper 07 February 2010 Pages: 1357 - 1367
Structures and energies of the radicals and anions generated from chlorpyrifos Yi ZhangChang-Zhong LiuZhi-Guo Miao Original Paper 10 February 2010 Pages: 1369 - 1376
Molecular modeling study of isoindolines as L-type Ca2+ channel blockers by docking calculations Teresa Mancilla-PercinoJosé Correa-BasurtoMargarita Saavedra-Vélez Original Paper 12 February 2010 Pages: 1377 - 1382
Some physicochemical properties of the antitumor drug thiotepa and its metabolite tepa as obtained by density functional theory (DFT) calculations Djaffar KheffacheOurida Ouamerali Original Paper 14 February 2010 Pages: 1383 - 1390
Theoretical study of hydrogen bonding interactions on MDI-based polyurethane Cuili ZhangJinlian HuFenglong Ji Original Paper 16 February 2010 Pages: 1391 - 1399
Theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygen Mahin GheidiNasser SafariMansour Zahedi Original Paper 16 February 2010 Pages: 1401 - 1413
Analysis of anisotropic effects in trinuclear metal carbonyl compounds by visualization of through-space NMR shielding Martha T. de AraujoEluzir P. ChaconErich Kleinpeter Original Paper 17 February 2010 Pages: 1415 - 1420
Theoretical calculation of partition coefficients of dimethoxypyrimidinylsalicylic acids Eduardo J. Delgado Original Paper 17 February 2010 Pages: 1421 - 1425