Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations Julien MichelJonathan W. Essex Perspective 28 May 2010 Pages: 639 - 658
Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1 Supriyo BhattacharyaGovindan SubramanianNagarajan Vaidehi OriginalPaper 29 May 2010 Pages: 659 - 674
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble Austin B. YongyeAndreas BenderKarina MartĂnez-Mayorga OriginalPaper Open access 25 May 2010 Pages: 675 - 686
A computational analysis of the binding model of MDM2 with inhibitors Guodong HuDunyou WangQinggang Zhang OriginalPaper 21 May 2010 Pages: 687 - 697
Dependency of ligand free energy landscapes on charge parameters and solvent models Yuko OkamotoToshimasa TanakaHironori Kokubo OriginalPaper 22 May 2010 Pages: 699 - 712
Cyclodextrin knowledgebase a web-based service managing CD-ligand complexation data Eszter HazaiIstvan HazaiZsolt Bikadi OriginalPaper 03 June 2010 Pages: 713 - 717