Relationships between aqueous acidities and computed surface-electrostatic potentials and local ionization energies of substituted phenols and benzoic acids Yuguang MaKevin C. GrossJane S. Murray Original Paper 19 May 2004 Pages: 235 - 239
Characterization of molecular structures and properties of polyurethanes using molecular dynamics simulations Jarmila RepákováPavla ČapkováMichal Ilavský Original Paper 20 May 2004 Pages: 240 - 249
Theoretical potential scans and vibrational spectra of vinyl selenonyl halides CH2=CH–SeO2X (X is F, Cl and Br) Hassan M. BadawiWolfgang FörnerZaki S. Seddigi Original Paper 19 May 2004 Pages: 250 - 258
Molecular modeling of the von Willebrand factor A2 Domain and the effects of associated type 2A von Willebrand disease mutations Jeffrey J. SutherlandLee A. O’BrienDonald F. Weaver Original Paper 03 August 2004 Pages: 259 - 270
CONDORR—CONstrained Dynamics of Rigid Residues: a molecular dynamics program for constrained molecules William S. YorkXiaobing Yi Original Paper 03 August 2004 Pages: 271 - 289
Molecular modeling of the interleukin-19 receptor complex Dorothee PreimelHeinrich Sticht Original Paper 09 July 2004 Pages: 290 - 296
LIV-3D-QSAR model for estrogen receptor ligands Elaine Fontes Ferreira da CunhaRita Cristina Azevedo MartinsRicardo Bicca de Alencastro Original Paper 31 July 2004 Pages: 297 - 304