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Journal of Molecular Graphics & Modelling|September 5, 2009
Prediction of novel and selective TNF-alpha converting enzyme (TACE) inhibitors and characterization of correlative molecular descriptors by machine learning approachesYong Cong, Xue-Gang Yang, Wei Lv, et al.Journal of Molecular Graphics & Modelling|December 3, 2008
A new method for in-silico drug screening and similarity search using molecular dynamics maximum volume overlap (MD-MVO) methodYoshifumi Fukunishi, Haruki NakamuraJournal of Molecular Graphics & Modelling|July 29, 2008
Atomistic modelling of crack propagation in a randomly rough nano-scale metallic surfaceSh Behzadi, H Rafii-TabarJournal of Molecular Graphics & Modelling|September 2, 2008
Structure and dimerization of the teleost transmembrane immunoglobulin regionAntonello Merlino, Sonia Varriale, Maria Rosaria Coscia, et al.Journal of Molecular Graphics & Modelling|July 2, 2005
Efficient determination of low-frequency normal modes of large protein structures by cluster-NMAAdam D Schuyler, Gregory S ChirikjianJournal of Molecular Graphics & Modelling|September 20, 2005
A combined QM and MM investigation into guanine quadruplexesEmma H Clay, Ian R GouldJournal of Molecular Graphics & Modelling|August 16, 2005
Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidasePascal Bonnet, Richard A BryceJournal of Molecular Graphics & Modelling|October 4, 2005
Quantum mechanical description of the interactions between DNA and waterLance M Westerhoff, Kenneth M MerzJournal of Molecular Graphics & Modelling|February 16, 2007
Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetrationJabir H A Al-Fahemi, David L Cooper, Neil L AllanJournal of Molecular Graphics & Modelling|February 20, 2007
Conformation of sulfated galactan and sulfated fucan in aqueous solutions: implications to their anticoagulant activitiesCamila F Becker, Jorge A Guimarães, Paulo A S Mourão, et al.Pageof 401