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Volume 1 / 1987 - Volume 26 / 2012
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
639-658
Perspective
Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations
Julien Michel and Jonathan W. Essex
659-674
Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1
Supriyo Bhattacharya, Govindan Subramanian, Spencer Hall, Jianping Lin and Abdelazize Laoui, et al.
675-686
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
Austin B. Yongye, Andreas Bender and Karina Martínez-Mayorga
687-697
A computational analysis of the binding model of MDM2 with inhibitors
Guodong Hu, Dunyou Wang, Xinguo Liu and Qinggang Zhang
699-712
Dependency of ligand free energy landscapes on charge parameters and solvent models
Yuko Okamoto, Toshimasa Tanaka and Hironori Kokubo
713-717
Cyclodextrin knowledgebase a web-based service managing CD-ligand complexation data
Eszter Hazai, Istvan Hazai, Laszlo Demko, Sandor Kovacs and David Malik, et al.
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