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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.
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