Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase Michael M. H. GrafUrban BrenChris Oostenbrink OriginalPaper Open access 17 April 2013 Pages: 295 - 304
5-HT1A receptor pharmacophores to screen for off-target activity of α1-adrenoceptor antagonists Tony NgoTimothy J. NicholasRenate Griffith OriginalPaper 27 April 2013 Pages: 305 - 319
QSAR workbench: automating QSAR modeling to drive compound design Richard CoxDarren V. S. GreenStephen D. Pickett OriginalPaper Open access 25 April 2013 Pages: 321 - 336
Identification of ligands that target the HCV-E2 binding site on CD81 Reem Al OlabyHassan M. AzzazyRod Balhorn OriginalPaper 24 April 2013 Pages: 337 - 346
In silico model for P-glycoprotein substrate prediction: insights from molecular dynamics and in vitro studies Rameshwar PrajapatiUdghosh SinghAbhay T. Sangamwar OriginalPaper 24 April 2013 Pages: 347 - 363
Identification of novel small molecule TGF-β antagonists using structure-based drug design Hao WangRichard B. SessionsIan C. Paterson OriginalPaper 27 April 2013 Pages: 365 - 372
Substrate recognition by norovirus polymerase: microsecond molecular dynamics study Kamil MaláčIvan Barvík OriginalPaper 26 April 2013 Pages: 373 - 388