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Structure (London, England : 1993)|November 14, 2007
Geometry-based sampling of conformational transitions in proteinsDaniel Seeliger, Jürgen Haas, Bert L de GrootPlos Computational Biology|January 13, 2010
Conformational transitions upon ligand binding: holo-structure prediction from apo conformationsDaniel Seeliger, Bert L de GrootProteins|May 19, 2007
Atomic contacts in protein structures. A detailed analysis of atomic radii, packing, and overlapsDaniel Seeliger, Bert L de GrootJournal of Computational Chemistry|October 24, 2008
tCONCOORD-GUI: visually supported conformational sampling of bioactive moleculesDaniel Seeliger, Bert L De GrootJournal of Computer-Aided Molecular Design|April 20, 2010
Ligand docking and binding site analysis with PyMOL and Autodock/VinaDaniel Seeliger, Bert L de GrootBiophysical Journal|May 21, 2010
Protein thermostability calculations using alchemical free energy simulationsDaniel Seeliger, Bert L de GrootJournal of Chemical Theory and Computation|November 22, 2015
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy CalculationsVytautas Gapsys, Daniel Seeliger, Bert L de GrootJournal of Computational Chemistry|December 10, 2014
pmx: Automated protein structure and topology generation for alchemical perturbationsVytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.Angewandte Chemie (International Ed. in English)|April 29, 2016
Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation ScanVytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.Nucleic Acids Research|July 9, 2011
Towards computational specificity screening of DNA-binding proteinsDaniel Seeliger, Floris P Buelens, Maik Goette, et al.Pageof 33