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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 16-17: Special Issue in Memory of Yiping Tang
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Articles

Enhanced molecular dynamics simulation of the transformation between α-helix and β-hairpin structures for peptide

Liangxu XieDepartment of Chemistry, The University of Hong Kong, Hong Kong SAR, ChinaView further author information
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Zhe-Ning ChenDepartment of Chemistry, The University of Hong Kong, Hong Kong SAR, ChinaCorrespondence[email protected]
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Pages 2424-2431 | Received 28 Jan 2016, Accepted 22 Feb 2016, Published online: 22 Mar 2016

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Read on this site (1)

Lin Shen, Liangxu Xie & Mingjun Yang. (2017) Thermodynamic properties of solvated peptides from selective integrated tempering sampling with a new weighting factor estimation algorithm. Molecular Physics 115:7, pages 885-894.
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Articles from other publishers (3)

Guowei Qi, Michail D. Vrettas, Carmen Biancaniello, Maximo Sanz-HernandezConor T. CafollaJohn W. R. MorganYifei WangAlfonso De Simone & David J. Wales. (2022) Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data. Journal of Chemical Theory and Computation 18:12, pages 7733-7750.
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Debayan Chakraborty, Yassmine Chebaro & David J. Wales. (2020) A multifunnel energy landscape encodes the competing α-helix and β-hairpin conformations for a designed peptide. Physical Chemistry Chemical Physics 22:3, pages 1359-1370.
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Liangxu Xie, Huimin Cheng, Dong Fang, Zhe-Ning Chen & Mingjun Yang. (2019) Enhanced QM/MM sampling for free energy calculation of chemical reactions: A case study of double proton transfer. The Journal of Chemical Physics 150:4.
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