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Volume 1 / 1987 - Volume 24 / 2010
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
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Trainable structure–activity relationship model for virtual screening of CYP3A4 inhibition
Remigijus Didziapetris, Justas Dapkunas, Andrius Sazonovas and Pranas Japertas
Online First™, 3 September 2010
Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study
Vannajan Sanghiran Lee, Kanchanok Kodchakorn, Jitrayut Jitonnom, Piyarat Nimmanpipug and Prachya Kongtawelert, et al.
Online First™, 27 August 2010
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies
Prabu Manoharan, R. S. K. Vijayan and Nanda Ghoshal
Online First™, 26 August 2010
QMOD: physically meaningful QSAR
Ajay N. Jain
Online First™, 18 August 2010
Mechanisms of amphipathic helical peptide denaturation by guanidinium chloride and urea: a molecular dynamics simulation study
Faramarz Mehrnejad, Mahmoud Khadem-Maaref, Mohammad Mehdi Ghahremanpour and Farahnoosh Doustdar
Online First™, 9 August 2010
T-Analyst: a program for efficient analysis of protein conformational changes by torsion angles
Rizi Ai, M. Qaiser Fatmi and Chia-en A. Chang
Online First™, 6 August 2010
Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example
Lívia Barros Salum and Napoleão Fonseca Valadares
Online First™, 26 July 2010
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