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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2002 1
2003 2
2004 3
2005 7
2006 10
2007 4
2008 2
2009 4
2010 9
2011 9
2012 7
2013 3
2014 5
2015 8
2016 3
2017 1
2018 2
2019 2
2020 8
2021 5
2022 8
2023 4
2024 1

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101 results

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Page 1
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues.
van Gunsteren WF, Daura X, Fuchs PFJ, Hansen N, Horta BAC, Hünenberger PH, Mark AE, Pechlaner M, Riniker S, Oostenbrink C. van Gunsteren WF, et al. Among authors: hunenberger ph. Chemphyschem. 2021 Feb 3;22(3):264-282. doi: 10.1002/cphc.202000968. Epub 2020 Dec 30. Chemphyschem. 2021. PMID: 33377305 Review.
Biomolecular modeling: Goals, problems, perspectives.
van Gunsteren WF, Bakowies D, Baron R, Chandrasekhar I, Christen M, Daura X, Gee P, Geerke DP, Glättli A, Hünenberger PH, Kastenholz MA, Oostenbrink C, Schenk M, Trzesniak D, van der Vegt NF, Yu HB. van Gunsteren WF, et al. Among authors: hunenberger ph. Angew Chem Int Ed Engl. 2006 Jun 19;45(25):4064-92. doi: 10.1002/anie.200502655. Angew Chem Int Ed Engl. 2006. PMID: 16761306 Review.
Development of an open-source software for isomer enumeration.
Rieder SR, Oliveira MP, Riniker S, Hünenberger PH. Rieder SR, et al. Among authors: hunenberger ph. J Cheminform. 2023 Jan 22;15(1):10. doi: 10.1186/s13321-022-00677-6. J Cheminform. 2023. PMID: 36683047 Free PMC article.
Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations.
Prasetyo N, Hünenberger PH, Hofer TS. Prasetyo N, et al. Among authors: hunenberger ph. J Chem Theory Comput. 2018 Dec 11;14(12):6443-6459. doi: 10.1021/acs.jctc.8b00729. Epub 2018 Nov 12. J Chem Theory Comput. 2018. PMID: 30284829
101 results