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Journal of Molecular Graphics & Modelling|March 30, 2010
Structural study of carboxylesterase from hyperthermophilic bacteria Geobacillus stearothermophilus by molecular dynamics simulationSangeeta Kundu, Debjani RoyJournal of Molecular Graphics & Modelling|May 21, 2010
Structural basis for substrate specificity of alphavirus nsP2 proteasesAndrew T Russo, Robert D Malmstrom, Mark A White, et al.Journal of Molecular Graphics & Modelling|May 11, 2010
A theoretical study on the efficient reversible redox-based switching of the second-order polarizabilities of two-dimensional nonlinear optical-active donor-acceptor phenanthroline-hexamolybdatePing Song, Li-Kai Yan, Wei Guan, et al.Journal of Molecular Graphics & Modelling|May 11, 2010
Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing unitsRamu Anandakrishnan, Tom R W Scogland, Andrew T Fenley, et al.Journal of Molecular Graphics & Modelling|March 7, 2009
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: the myoglobin caseElena Papaleo, Paolo Mereghetti, Piercarlo Fantucci, et al.Journal of Molecular Graphics & Modelling|March 13, 2009
Atomistic visualization: space-time multiresolution integration of data analysis and renderingDipesh Bhattarai, Bijaya B KarkiJournal of Molecular Graphics & Modelling|May 29, 2009
Characterization of an inhibitory dynamic pharmacophore for the ERCC1-XPA interaction using a combined molecular dynamics and virtual screening approachKhaled H Barakat, J Torin Huzil, Tyler Luchko, et al.Journal of Molecular Graphics & Modelling|December 27, 2008
Development of new indices to evaluate protein-protein interfaces: assembling space volume, assembling space distance, and global shape descriptorMiki H Maeda, Kengo KinoshitaJournal of Molecular Graphics & Modelling|October 7, 2008
In silico description of fluorescent probes in vivoSergio PantanoJournal of Molecular Graphics & Modelling|October 8, 2008
Computational strategies for the automated design of RNA nanoscale structures from building blocks using NanoTilerEckart Bindewald, Calvin Grunewald, Brett Boyle, et al.Pageof 400