Sialyldisaccharide conformations: a molecular dynamics perspective Jeyasigamani F. A. SelvinThanu R. K. PriyadarziniKasinadar Veluraja OriginalPaper 10 April 2012 Pages: 375 - 385
A collaborative environment for developing and validating predictive tools for protein biophysical characteristics Michael A. JohnstonDamien FarrellJens Erik Nielsen OriginalPaper 04 April 2012 Pages: 387 - 396
The state of the guanosine nucleotide allosterically affects the interfaces of tubulin in protofilament Joseph R. AndréMarie-Jeanne ClémentPhilippe Manivet OriginalPaper 19 April 2012 Pages: 397 - 407
Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK Natalie B. VinhJamie S. SimpsonDavid K. Chalmers OriginalPaper 20 April 2012 Pages: 409 - 423
On the active site of mononuclear B1 metallo β-lactamases: a computational study Jacopo SgrignaniAlessandra MagistratoRoberta Pierattelli OriginalPaper 25 April 2012 Pages: 425 - 435
Structure-based design of oxygen-linked macrocyclic kinase inhibitors: discovery of SB1518 and SB1578, potent inhibitors of Janus kinase 2 (JAK2) and Fms-like tyrosine kinase-3 (FLT3) Anders PoulsenAnthony WilliamBrian Dymock OriginalPaper 22 April 2012 Pages: 437 - 450
Development and validation of an improved algorithm for overlaying flexible molecules Robin TaylorJason C. ColeOliver Korb OriginalPaper Open access 27 April 2012 Pages: 451 - 472