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Volume 1 / 1987 - Volume 26 / 2012
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
773-781
Investigation of structures and properties of cyclic peptide nanotubes by experiment and molecular dynamics
Jingchuan Zhu, Jie Cheng, Zhouxiong Liao, Zhonghong Lai and Bo Liu
783-788
Fast and accurate methods for predicting short-range constraints in protein models
Dominik Gront and Andrzej Kolinski
789-797
A molecular mechanism of P-loop pliability of Rho-kinase investigated by molecular dynamic simulation
Keigo Gohda and Toshio Hakoshima
799-814
Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein
Ami Y.-C. Yang and Ricardo L. Mancera
815-829
A new peptide docking strategy using a mean field technique with mutually orthogonal Latin square sampling
P. Arun Prasad and N. Gautham
831-841
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors
Joseph Rebehmed, Florent Barbault, Cátia Teixeira and François Maurel
843-855
Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction
Haiyan Li, Jin Sun, Xiaowen Fan, Xiaofan Sui and Lan Zhang, et al.
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