Density functional studies of the substituent effect on absorption and emission properties of 1, 8-naphthalimide derivatives Qi QiYongquan HaYueming Sun Original Paper 15 December 2009 Pages: 1179 - 1186
The theoretical and experimental study on dicalcium phosphate dehydrate loading with protocatechuic aldehyde Yuehua GuoShuxin QuJie Weng Original Paper 18 December 2009 Pages: 1187 - 1194
Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors Xiu-Mei ChenTao LuYa-Dong Chen Original Paper 18 December 2009 Pages: 1195 - 1204
Does molecular docking reveal alternative chemopreventive mechanism of activation of oxidoreductase by sulforaphane isothiocyanates? Pawel MazurTomasz MagdziarzJaroslaw Polanski Original Paper 22 December 2009 Pages: 1205 - 1212
Homology modeling and molecular dynamics simulations of HgiDII methyltransferase in complex with DNA and S-adenosyl-methionine: Catalytic mechanism and interactions with DNA Juan A. Castelán-VegaAlicia Jiménez-AlbertoRosa M. Ribas-Aparicio Original Paper 22 December 2009 Pages: 1213 - 1222
Improving performance of docking-based virtual screening by structural filtration Fedor N. NovikovViktor S. StroylovGhermes G. Chilov Original Paper 30 December 2009 Pages: 1223 - 1230
The local electron affinity for non-minimal basis sets Timothy Clark Original Paper 10 January 2010 Pages: 1231 - 1238
Molecular docking and 3D-QSAR studies on β-phenylalanine derivatives as dipeptidyl peptidase IV inhibitors Yan-Ke Jiang Original Paper 13 January 2010 Pages: 1239 - 1249
Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors Vijay M. KhedkarPremlata K. AmbreEvans C. Coutinho Original Paper 13 January 2010 Pages: 1251 - 1268
“Fuzzy oil drop” model applied to individual small proteins built of 70 amino acids Katarzyna PrymulaKinga SałapaIrena Roterman Original Paper 19 January 2010 Pages: 1269 - 1282
TollML: a database of toll-like receptor structural motifs Jing GongTiandi WeiRobert W. Stark Original Paper 19 January 2010 Pages: 1283 - 1289
Quantum chemical studies on the inhibition potentials of some Penicillin compounds for the corrosion of mild steel in 0.1 M HCl Nnabuk Okon EddyEno E. Ebenso Original Paper 29 January 2010 Pages: 1291 - 1306