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Molecular dynamics simulations of the chemokine CCL2 in complex with pull down-derived heparan sulfate hexasaccharides
Winkler, Sophie, Derler, Rupert, Gesslbauer, Bernd, Krieger, Elmar, Kungl, Andreas J.
Published in Biochimica et biophysica acta. General subjects (01.03.2019)
Published in Biochimica et biophysica acta. General subjects (01.03.2019)
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On Local Structure Equilibration of Ca 2+ in Solution by Ab Initio Molecular Dynamics
Moison, Hugo, Aufort, Julie, Benoit, Magali, Méheut, Merlin
Published in The journal of physical chemistry. B (25.03.2024)
Published in The journal of physical chemistry. B (25.03.2024)
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Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields
Ocello, Riccardo, Furini, Simone, Lugli, Francesca, Recanatini, Maurizio, Domene, Carmen, Masetti, Matteo
Published in Journal of chemical information and modeling (28.12.2020)
Published in Journal of chemical information and modeling (28.12.2020)
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Molecular Dynamics Simulations of 1‑Ethyl-3-methylimidazolium Bis[(trifluoromethyl)sulfonyl]imide Clusters and Nanodrops
Prince, Benjamin D, Tiruppathi, Pavithra, Bemish, Raymond J, Chiu, Yu-Hui, Maginn, Edward J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.01.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.01.2015)
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Size-dependent power laws for edge dislocations in Nickel superalloys: A molecular dynamics study
Mistry, Divyeshkumar A., Ramabathiran, Amuthan A.
Published in Computational materials science (01.09.2025)
Published in Computational materials science (01.09.2025)
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Molecular dynamics study of confined water in the periclase-brucite system under conditions of reaction-induced fracturing
Guren, Marthe G., Sveinsson, Henrik A., Hafreager, Anders, Jamtveit, Bjørn, Malthe-Sørenssen, Anders, Renard, François
Published in Geochimica et cosmochimica acta (01.02.2021)
Published in Geochimica et cosmochimica acta (01.02.2021)
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Redox Levels through Constant Fermi-Level ab Initio Molecular Dynamics
Bouzid, Assil, Pasquarello, Alfredo
Published in Journal of chemical theory and computation (11.04.2017)
Published in Journal of chemical theory and computation (11.04.2017)
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Molecular dynamics simulation study on the mechanism of nanoparticle dispersion stability with polymer and surfactant additives
Xu, Na, Lv, Yaodong, Zhang, Laiqiang, Zhang, Shiwen, Li, Xin, Liu, Fei, Li, Zixuan, Zhang, Wei
Published in Chemical engineering science (05.10.2024)
Published in Chemical engineering science (05.10.2024)
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Study on the mechanism of hydrogen production from bamboo gasification in supercritical water by ReaxFF molecular dynamics simulation
Qiu, Yue, Rao, Shenghui, Zhong, Lihu, Wu, Yuhui, Dong, Runqiu, Liu, Zhigang, Chen, Jingwei, Yi, Lei, Chen, Bin
Published in Biomass & bioenergy (01.12.2024)
Published in Biomass & bioenergy (01.12.2024)
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Strain induced electrochemical behaviors of ionic liquid electrolytes in an electrochemical double layer capacitor: Insights from molecular dynamics simulations
Roy, Tribeni, Goel, Saurav, Costa, Luciano T., Titirici, Maria-Magdalena, Offer, Gregory J., Marinescu, Monica, Wang, Huizhi
Published in The Journal of chemical physics (28.12.2023)
Published in The Journal of chemical physics (28.12.2023)
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DNA–MBF1 study using molecular dynamics simulations
Salgado-Blanco, Daniel, López-Urías Florentino, Ovando-Vázquez Cesaré, Jaimes-Miranda, Fabiola
Published in European biophysics journal (01.01.2021)
Published in European biophysics journal (01.01.2021)
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Polycrystalline Ni nanotubes under compression: a molecular dynamics study
Rojas-Nunez, J., Baltazar, S. E., Gonzalez, R. I., Bringa, E. M., Allende, S., Kiwi, M., Valencia, F. J.
Published in Scientific reports (03.12.2020)
Published in Scientific reports (03.12.2020)
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