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Macromolecular Bioscience|December 8, 2010
Proteins, lipids, and water in the gas phaseDavid van der Spoel, Erik G Marklund, Daniel S D Larsson, et al.The Journal of Physical Chemistry. B|November 2, 2007
A direct comparison of protein structure in the gas and solution phase: the Trp-cageAlexandra Patriksson, Christopher M Adams, Frank Kjeldsen, et al.The Journal of Physical Chemistry Letters|June 1, 2017
Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the ProtonHaiyang Zhang, Yang Jiang, Hai Yan, et al.Journal of Chemical Theory and Computation|April 10, 2020
Theoretical Infrared Spectra: Quantitative Similarity Measures and Force FieldsHenning Henschel, Alfred T Andersson, Willem Jespers, et al.Journal of Chemical Information and Modeling|January 11, 2023
An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular SimulationKristian Kříž, Lisa Schmidt, Alfred T Andersson, et al.Journal of Computational Chemistry|November 22, 2013
An efficient and extensible format, library, and API for binary trajectory data from molecular simulationsMagnus Lundborg, Rossen Apostolov, Daniel Spångberg, et al.Journal of Chemical Theory and Computation|October 10, 2018
Phase-Transferable Force Field for Alkali HalidesMarie-Madeleine Walz, Mohammad M Ghahremanpour, Paul J van Maaren, et al.Peptides|February 27, 2013
Anopheles gambiae, Anoga-HrTH hormone, free and bound structure--a nuclear magnetic resonance experimentGrace Mugumbate, Graham E Jackson, David van der Spoel, et al.Biophysical Chemistry|August 19, 2008
A theoretical study of repeating sequence in HRP II: a combination of molecular dynamics simulations and (17)O quadrupole coupling tensorsHadi Behzadi, Mehdi D Esrafili, David van der Spoel, et al.Physical Chemistry Chemical Physics : PCCP|September 4, 2009
Structural stability of electrosprayed proteins: temperature and hydration effectsErik G Marklund, Daniel S D Larsson, David van der Spoel, et al.Pageof 12