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Molecular Simulation Volume 43, 2017 - Issue 13-16: Proceedings of the 4th International Conference on Molecular Simulation
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Articles

Comparative study of 3D-RISM theory and molecular dynamics calculations for the free-energy landscape of a hydrated dipeptide

Hiroshi IwasakiFaculty of Mathematics and Physics, Kanazawa University, Kanazawa, Japan.Correspondence[email protected]
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Satoshi YamaguchiGraduate School of Natural Science and Technology, Kanazawa University, Kanazawa, Japan.View further author information
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Shinichi MiuraFaculty of Mathematics and Physics, Kanazawa University, Kanazawa, Japan.View further author information
Pages 1406-1411 | Received 28 Feb 2017, Accepted 05 Jun 2017, Published online: 28 Jun 2017

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Anele Mkanya, Giuseppe Pellicane, Franklin S. Ramos, Ana M. Ramos & Lloyd L. Lee. (2019) On the structure, property, and phase behaviour of the symmetric Yukawa mixtures: testing of the consistent integral equation theories. Molecular Physics 117:6, pages 784-793.
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Ankita Katiyar & Ward H. Thompson. (2021) Temperature Dependence of Peptide Conformational Equilibria from Simulations at a Single Temperature. The Journal of Physical Chemistry A 125:11, pages 2374-2384.
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