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Journal of Molecular Graphics & Modelling|June 9, 2004
Modelling blood-brain barrier partitioning using Bayesian neural netsDavid A Winkler, Frank R BurdenJournal of Molecular Graphics & Modelling|June 9, 2004
Towards integrated ADME prediction: past, present and future directions for modelling metabolism by UDP-glucuronosyltransferasesP A Smith, M J Sorich, L S C Low, et al.Journal of Molecular Graphics & Modelling|April 22, 2004
Exploring the conformational space of cyclic peptides by a stochastic search methodAnwar Rayan, Hanoch Senderowitz, Amiram GoldblumJournal of Molecular Graphics & Modelling|April 22, 2004
Tools for channels: moving towards molecular calculations of gating and permeation in ion channel biophysicsThomas B Woolf, Daniel M Zuckerman, Nandou Lu, et al.Journal of Molecular Graphics & Modelling|April 22, 2004
Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulationsAnne E Loccisano, Orlando Acevedo, Jason DeChancie, et al.Journal of Molecular Graphics & Modelling|April 22, 2004
Development of softcore potential functions for overcoming steric barriers in molecular dynamics simulationsViktor Hornak, Carlos SimmerlingJournal of Molecular Graphics & Modelling|April 22, 2004
Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithmRuhong ZhouJournal of Molecular Graphics & Modelling|June 5, 2004
The distribution of the unoccupied volume in glassy polymersE Schmidtke, K Günther-Schade, D Hofmann, et al.Journal of Molecular Graphics & Modelling|November 9, 2004
A comparison of calculated NMR shielding probesNed H Martin, David M Loveless, Dustin C WadeJournal of Molecular Graphics & Modelling|September 15, 2004
Analysis of the activating mutations within the activation loop of leukemia targets Flt-3 and c-Kit based on protein homology modelingMaricel Torrent, Keith Rickert, Bo-Sheng Pan, et al.Pageof 407