Impact of distance-based metric learning on classification and visualization model performance and structure–activity landscapes Natalia V. KireevaSvetlana I. OvchinnikovaAslan Yu. Tsivadze OriginalPaper 04 February 2014 Pages: 61 - 73
Structure-guided optimization of small molecule c-Abl activators Xuan HongPing CaoMartha S. Head OriginalPaper Open access 27 February 2014 Pages: 75 - 87
Prospective virtual screening for novel p53–MDM2 inhibitors using ultrafast shape recognition Sachin P. PatilPedro J. BallesterCassidy R. Kerezsi OriginalPaper 20 February 2014 Pages: 89 - 97
Computational prediction of kink properties of helices in membrane proteins T.-L. MaiC.-M. Chen OriginalPaper 21 February 2014 Pages: 99 - 109
Computational atomistic blueprinting of novel conducting copolymers using particle swarm optimization Priyanka ThakralA. K. Bakhshi OriginalPaper 02 March 2014 Pages: 111 - 122
Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations Wojciech KopecHimanshu Khandelia OriginalPaper 01 March 2014 Pages: 123 - 134