Theoretical study on the ground state intramolecular proton transfer (IPT) and solvation effect in two Schiff bases formed by 2-aminopyridine with 2-hydroxy-1- naphthaldehyde and 2-hydroxy salicylaldehyde N. TezerN. Karakus Original Paper 02 December 2008 Pages: 223 - 232
Exploring the binding of HIV-1 integrase inhibitors by comparative residue interaction analysis (CoRIA) Devendra K. DhakedJitender VermaEvans C. Coutinho Original Paper 02 December 2008 Pages: 233 - 245
The effect of ring size on vibrational spectroscopy and hydrogen bonding properties for the complexes between small ring carbonyl compounds with HF and HCl: Theoretical analysis Hossein HooshyarKarim ZareSalah Khanahmadzadeh Original Paper 03 December 2008 Pages: 247 - 256
Effects of tryptophan residue fluorination on streptavidin stability and biotin–streptavidin interactions via molecular dynamics simulations Jarosław J. PanekThomas R. WardMarjana Novič Original Paper 04 December 2008 Pages: 257 - 266
Docking studies suggest ligand-specific δ-opioid receptor conformations Vuk MicovicMilovan D. IvanovicLjiljana Dosen-Micovic Original Paper 04 December 2008 Pages: 267 - 280
Computer-based design of novel HIV-1 entry inhibitors: neomycin conjugated to arginine peptides at two specific sites Alexander BerchanskiAviva Lapidot Original Paper 05 December 2008 Pages: 281 - 294
AM1* parameters for bromine and iodine Hakan KayiTimothy Clark Original Paper 05 December 2008 Pages: 295 - 308
A very large C-loop in EGF domain IV is characteristic of the P28 family of ookinete surface proteins Babita SharmaRahul Dev Ambedkar Original Paper 05 December 2008 Pages: 309 - 321
Homology modeling and molecular dynamics study on N-acetylneuraminate lyase Hui-Ying ChuQing-Chuan ZhengHong-Xing Zhang Original Paper 05 December 2008 Pages: 323 - 328
How sophisticated should a scoring function be to ensure successful docking, scoring and virtual screening? Dmitry TarasovDmitry Tovbin Original Paper 09 December 2008 Pages: 329 - 341