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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: 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: 2
 DOI: 10.1021/acs.jpcb.5b10437
added
10-Sep-16
2.  Title: Exploration of Interfacial Hydration Networks of Target Ligand Complexes
 Author(s): Jeszenoi, Norbert; Balint, Monika; Horvath, Istvan; et al.
 Source: Journal of Chemical Information and Modeling Volume: 56 Issue: 1 Pages: 148-158 Published: JAN 2016
 Times Cited: 0
 DOI: 10.1021/acs.jcim.5b00638
added
10-Sep-16
3.  Title: Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation (vol 55, pg 1192, 2015)
 Author(s): Zhang, Jin; Tuguldur, Badamkhatan; van der Spoel, David
 Source: Journal of Chemical Information and Modeling Volume: 56 Issue: 4 Pages: 819-820 Published: APR 2016
 Times Cited: 5
 DOI: 10.1021/acs.jcim.6b00081
added
10-Sep-16
4.  Title: Water Determines the Structure and Dynamics of Proteins
 Author(s): Bellissent-Funel, Marie-Claire; Hassanali, Ali; Havenith, Martina; et al.
 Source: Chemical Reviews Volume: 116 Issue: 13 Pages: 7673-7697 Published: JUL 13 2016
 Times Cited: 25
 DOI: 10.1021/acs.chemrev.5b00664
added
10-Sep-16
5.  Title: Deciphering Solution Scattering Data with Experimentally Guided Molecular Dynamics Simulations
 Author(s): Bjorling, Alexander; Niebling, Stephan; Marcellini, Moreno; et al.
 Source: Journal of Chemical Theory and Computation Volume: 11 Issue: 2 Pages: 780-787 Published: FEB 2015
 Times Cited: 7
 DOI: 10.1021/ct5009735
added
10-Sep-16
6.  Title: Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation
 Author(s): Nasedkin, Alexandr; Marcellini, Moreno; Religa, Tomasz L.; et al.
 Source: Plos One Volume: 10 Issue: 5 Published: MAY 6 2015
 Times Cited: 2
 DOI: 10.1371/journal.pone.0125662
added
10-Sep-16
7.  Title: Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation
 Author(s): Zhang, Jin; Tuguldur, Badamkhatan; van der Spoel, David
 Source: Journal of Chemical Information and Modeling Volume: 55 Issue: 6 Pages: 1192-1201 Published: JUN 2015
 Times Cited: 19
 DOI: 10.1021/acs.jcim.5b00106
added
10-Sep-16
8.  Title: Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization
 Author(s): Zhang, Haiyang; Tan, Tianwei; Van der Spoel, David
 Source: Journal of Chemical Theory and Computation Volume: 11 Issue: 11 Pages: 5103-5113 Published: NOV 2015
 Times Cited: 4
 DOI: 10.1021/acs.jctc.5b00620
added
10-Sep-16
9.  Title: Impact of sludge deposition on biodiversity
 Author(s): Manzetti, Sergio; van der Spoel, David
 Source: Ecotoxicology Volume: 24 Issue: 9 Pages: 1799-1814 Published: NOV 2015
 Times Cited: 2
 DOI: 10.1007/s10646-015-1530-9
added
10-Sep-16
10.  Title: Implementation of Extended Lagrangian Dynamics in GROMACS for Polarizable Simulations Using the Classical Drude Oscillator Model
 Author(s): Lemkul, Justin A.; Roux, Benoit; van der Spoel, David; et al.
 Source: Journal of Computational Chemistry Volume: 36 Issue: 19 Pages: 1473-1479 Published: JUL 15 2015
 Times Cited: 6
 DOI: 10.1002/jcc.23937
added
10-Sep-16
publication(s)  
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