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Structure (London, England : 1993)|January 11, 2008
A proposed time-resolved X-ray scattering approach to track local and global conformational changes in membrane transport proteinsMagnus Andersson, Jonathan Vincent, David van der Spoel, et al.Nucleic Acids Research|May 3, 2018
Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulationsNina M Fischer, Marcelo D Polêto, Jakob Steuer, et al.Journal of the American Society for Mass Spectrometry|June 13, 2012
Carbonyl charge solvation patterns may relate to fragmentation classes in collision-activated dissociationHongqian Yang, David M Good, David van der Spoel, et al.Journal of Chemical Information and Modeling|December 26, 2015
Exploration of Interfacial Hydration Networks of Target-Ligand ComplexesNorbert Jeszenői, Mónika Bálint, István Horváth, et al.Journal of Cheminformatics|December 29, 2017
Systematic exploration of multiple drug binding sitesMónika Bálint, Norbert Jeszenői, István Horváth, et al.The Journal of Physical Chemistry. B|March 3, 2006
Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic mediaDavid van der Spoel, Paul J van Maaren, Per Larsson, et al.Journal of Computer-Aided Molecular Design|January 10, 2004
Modeling of enzyme-substrate complexes for the metalloproteases MMP-3, ADAM-9 and ADAM-10Sergio Manzetti, Daniel R McCulloch, Adrian C Herington, et al.Journal of the American Chemical Society|November 3, 2009
Molecular dynamics simulations of a membrane protein-micelle complex in vacuoRosmarie Friemann, Daniel S D Larsson, Yaofeng Wang, et al.Journal of the American Chemical Society|May 10, 2007
Fluorescence probe of Trp-cage protein conformation in solution and in gas phaseAnthony T Iavarone, Alexandra Patriksson, David van der Spoel, et al.Journal of Chemical Theory and Computation|February 18, 2015
Deciphering solution scattering data with experimentally guided molecular dynamics simulationsAlexander Björling, Stephan Niebling, Moreno Marcellini, et al.Pageof 12