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Molecular Dynamics Simulations Cyclotide Kalata B1 Interactions with Lipid Bilayers. [PDF]

Molecules
Forlemu NY, Njabon EN, Mallia A, Mwongela S, Tangirala S.   +4 more
europepmc   +1 more source

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Molecular dynamics simulation of the interaction of food proteins with small molecules

Food Chemistry, 2023
Fang Geng, Zhen Zeng, Xia Hu
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Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

Journal of Biomolecular Structure and Dynamics, 2020
Weiwei Han, Jingxuan Zhu, Xiaopian Tian
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Effects of thermostats/barostats on physical properties of liquids by molecular dynamics simulations

Journal of Molecular Liquids, 2022
Chongxiong Duan
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Application of Molecular Dynamics Simulations in the Analysis of Cyclodextrin Complexes

International Journal of Molecular Sciences, 2021
Lukasz Szeleszczuk, Anna Helena Mazurek, Tomasz Gubica   +2 more
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Constant pressure molecular dynamics simulation: The Langevin piston method

Journal of Chemical Physics, 1995
Richard W Pastor, Bernard R Brooks, Scott E Feller   +2 more
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Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation

Journal of Chemical Physics, 1990
Gary S. Grest, Kurt Kremer
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