A comparison of various optimization algorithms of protein–ligand docking programs by fitness accuracy Liyong GuoZhiqiang YanJin Wang Original Paper 17 June 2014 Article: 2251
Modeling bacterial quorum sensing in open and closed environments: potential discrepancies between agar plate and culture flask experiments Dóra BiharyMarietta TóthSándor Pongor Original Paper 19 June 2014 Article: 2248
A rational reduction of CI expansions: combining localized molecular orbitals and selected charge excitations Tim KrahNadia Ben AmorVincent Robert Original Paper 17 June 2014 Article: 2240
Complexity measure and quantum shape-phase transitions in the two-dimensional limit of the vibron model Elvira RomeraManuel CalixtoÁgnes Nagy Original Paper 20 June 2014 Article: 2237
Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques Danielle da C. SilvaVinicius G. MaltarolloKathia M. Honorio Original Paper 17 June 2014 Article: 2231
An innovative synergistic grid approach to the computational study of protein aggregation mechanisms Noelia Faginas-LagoMargarita AlbertíLeonardo Pacifici Original Paper 17 June 2014 Article: 2226
Natural bond orbital/natural J-coupling study of vicinal couplings José M. García de la VegaJesús San Fabián Original Paper 20 June 2014 Article: 2225