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Journal of Molecular Graphics & Modelling|August 23, 2003
A modified update rule for stochastic proximity embeddingDmitrii N Rassokhin, Dimitris K AgrafiotisJournal of Molecular Graphics & Modelling|August 23, 2003
Design of focused and restrained subsets from extremely large virtual librariesEric A Jamois, Chien T Lin, Marvin WaldmanJournal of Molecular Graphics & Modelling|August 23, 2003
A novel set of Wiener indicesXin-hua Li, Zu-guang Li, Mao-lin HuJournal of Molecular Graphics & Modelling|August 23, 2003
Molecular determinants of LXRalpha agonismMinmin Wang, Jeffrey Thomas, Thomas P Burris, et al.Journal of Molecular Graphics & Modelling|June 12, 2003
Novel map descriptors for characterization of toxic effects in proteomics mapsZeljko Bajzer, Milan Randić, Dejan Plavsić, et al.Journal of Molecular Graphics & Modelling|June 12, 2003
Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniquesAndrew C Good, Daniel L CheneyJournal of Molecular Graphics & Modelling|June 12, 2003
Comparative pharmacophore development for inhibitors of human and rat 5-alpha-reductaseJane Faragalla, John Bremner, David Brown, et al.Journal of Molecular Graphics & Modelling|April 22, 2004
Computational analysis of ligand binding dynamics at the intermolecular hot spots with the aid of simulated tempering and binding free energy calculationsGennady M VerkhivkerJournal of Molecular Graphics & Modelling|April 22, 2004
MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biologyMichael Feig, John Karanicolas, Charles L BrooksJournal of Molecular Graphics & Modelling|April 22, 2004
Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulationsYuko OkamotoPageof 408