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van der Spoel, David
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ResearcherID: A-5471-2008
URL: http://www.researcherid.com/rid/A-5471-2008
Subject: Biophysics; Chemistry; Computer Science; Life Sciences & Biomedicine - Other; Thermodynamics
ORCID: http://orcid.org/0000-0002-7659-8526
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This list contains papers that I have authored.

publication(s)  
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1.  Title: Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models.
 Author(s): Zhang, Haiyang; Yin, Chunhua; Jiang, Yang; et al.
 Source: Journal of chemical information and modeling Published: 2018-Apr-18
 DOI: 10.1021/acs.jcim.8b00026
added
22-May-18
2.  Title: Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulations.
 Author(s): Fischer, Nina M; Poleto, Marcelo D; Steuer, Jakob; et al.
 Source: Nucleic acids research Published: 2018-Apr-30
 DOI: 10.1093/nar/gky221
added
22-May-18
3.  Title: The Alexandria library, a quantum-chemical database of molecular properties for force field development
 Author(s): Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David
 Source: Scientific Data Volume: 5 Published: APR 10 2018
 Times Cited: 0
 DOI: 10.1038/sdata.2018.62
added
22-May-18
4.  Title: Transient isomers in the photodissociation of bromoiodomethane
 Author(s): Marcellini, Moreno; Nasedkin, Alexandr; Zietz, Burkhard; et al.
 Source: Journal of Chemical Physics Volume: 148 Issue: 13 Published: APR 7 2018
 Times Cited: 0
 DOI: 10.1063/1.5005595
added
22-May-18
5.  Title: Comparison of Implicit and Explicit Solvent Models for the Calculation of Solvation Free Energy in Organic Solvents
 Author(s): Zhang, Jin; Zhang, Haiyang; Wu, Tao; et al.
 Source: Journal of Chemical Theory and Computation Volume: 13 Issue: 3 Pages: 1034-1043 Published: MAR 2017
 Times Cited: 5
 DOI: 10.1021/acs.jctc.7b00169
added
22-May-18
6.  Title: Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the Proton
 Author(s): Zhang, Haiyang; Jiang, Yang; Yan, Hai; et al.
 Source: Journal of Physical Chemistry Letters Volume: 8 Issue: 12 Pages: 2705-2712 Published: JUN 15 2017
 Times Cited: 3
 DOI: 10.1021/acs.jpclett.7b01125
added
22-May-18
7.  Title: Mechanistic Insights into Autoinhibition of the Oncogenic Chromatin Remodeler ALC1
 Author(s): Lehmann, Laura C.; Hewitt, Graeme; Aibara, Shintaro; et al.
 Source: Molecular Cell Volume: 68 Issue: 5 Pages: 847-+ Published: DEC 7 2017
 Times Cited: 0
 DOI: 10.1016/j.molcel.2017.10.017
added
22-May-18
8.  Title: Membrane vesiculation induced by proteins of the dengue virus envelope studied by molecular dynamics simulations
 Author(s): dos Santos Soares, Ricardo de Oliveira; Bortot, Leandro Oliveira; van der Spoel, David; et al.
 Source: Journal of Physics-Condensed Matter Volume: 29 Issue: 50 Published: DEC 20 2017
 Times Cited: 0
 DOI: 10.1088/1361-648X/aa99c6
added
22-May-18
9.  Title: Systematic exploration of multiple drug binding sites
 Author(s): Balint, Monika; Jeszenoi, Norbert; Horvath, Istvan; et al.
 Source: Journal of Cheminformatics Volume: 9 Published: DEC 28 2017
 Times Cited: 0
 DOI: 10.1186/s13321-017-0255-6
added
22-May-18
10.  Title: Atomistic Simulation of Protein Encapsulation in Metal-Organic Frameworks
 Author(s): Zhang, Haiyang; Lv, Yongqin; Tan, Tianwei; et al.
 Source: Journal of Physical Chemistry B Volume: 120 Issue: 3 Pages: 477-484 Published: JAN 28 2016
 Times Cited: 10
 DOI: 10.1021/acs.jpcb.5b10437
added
10-Sep-16
publication(s)  
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