DFT: a dynamic study of the interaction of ethanol and methanol with platinum Irineo Pedro ZaragozaRoberto SalcedoJaime Vergara Original Paper 12 December 2008 Pages: 447 - 451
Homology modelling of 3-oxoacyl-acyl carrier protein synthase II from Mycobacterium tuberculosis H37Rv and molecular docking for exploration of drugs Vijai SinghPallavi Somvanshi Original Paper 13 December 2008 Pages: 453 - 460
Density functional studies of closed-shell attractions of S(AuPH3)2 and HS(AuPH3)2 + and their dimers Hua FangXiao-Gang ZhangShu-Guang Wang Original Paper 13 December 2008 Pages: 461 - 468
Systematic characterization on electronic structures and spectra for a series of complexes, M(IDB)Cl2 (M = Mn, Fe, Co, Ni, Cu and Zn): a theoretical study Yanyan ZhuZhanfen ChenGuangju Chen Original Paper 13 December 2008 Pages: 469 - 479
Understanding structural/functional properties of amidase from Rhodococcus erythropolis by computational approaches Wei-Wei HanYing WangYan Feng Original Paper 16 December 2008 Pages: 481 - 487
Vicinity analysis: a methodology for the identification of similar protein active sites A. McGreadyA. StevensM. G. Ford Original Paper 16 December 2008 Pages: 489 - 498
Analysis of a three-dimensional structure of human acidic mammalian chitinase obtained by homology modeling and ligand binding studies Yong-Shan ZhaoQing-Chuan ZhengChia-Chung Sun Original Paper 16 December 2008 Pages: 499 - 505
In-silico homology modeling of three isoforms of insect defensins from the dengue vector mosquito, Aedes aegypti (Linn., 1762) K. J. DhananjeyanR. SivaperumalB. K. Tyagi Original Paper 16 December 2008 Pages: 507 - 514
A theoretical study on unusual intermolecular T-shaped X–H...π interactions between the singlet state HB=BH and HF, HCl, HCN or H2C2 Fu-de RenDuan-lin CaoShu-sen Chen Original Paper 17 December 2008 Pages: 515 - 523
Density functional and Møller–Plesset studies of cyclobutanone⋯HF and ⋯HCl complexes Hossein HooshyarHedayat RahemiBehrooz Khezri Original Paper 17 December 2008 Pages: 525 - 536
Conformational and electronic (AIM/NBO) study of unsubstituted A-type dimeric proanthocyanidin Rosana M. LobayanAlicia H. JubertAlicia B. Pomilio Original Paper 19 December 2008 Pages: 537 - 550
3-D clustering: a tool for high throughput docking John P. Priestle Software Report 16 December 2008 Pages: 551 - 560
EGF domain II of protein Pb28 from Plasmodium berghei interacts with monoclonal transmission blocking antibody 13.1 B. SharmaM. K. JaiswalA. K. Saxena Erratum 07 March 2009 Pages: 561 - 561
A very large C-loop in EGF domain IV is characteristic of the P28 family of ookinete surface proteins B. SharmaR. D. AmbedkarA. K. Saxena Erratum 25 February 2009 Pages: 563 - 563