2021
|
| 1. | M. Meuwly; M. Karplus The Functional Role of the Hemoglobin-Water Interface Journal Article In: Molecular Aspects of Medicine, pp. 101042, 2021. @article{MM.meuwly.mam:2021,
title = {The Functional Role of the Hemoglobin-Water Interface},
author = {M. Meuwly and M. Karplus},
year = {2021},
date = {2021-01-01},
journal = {Molecular Aspects of Medicine},
pages = {101042},
keywords = {H2O, Hemoglobin, Interface},
pubstate = {published},
tppubtype = {article}
}
|
2020
|
| 2. | M. Pezzella; K. El Hage; M. J. M. Niesen; S. Shin; A. P. Willard; M. Meuwly; M. Karplus Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin Journal Article In: J. Phys. Chem. B, vol. 124, pp. 6540-6554, 2020. @article{MM.pezzella.jpcb:2020,
title = {Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin},
author = {M. Pezzella and K. El Hage and M. J. M. Niesen and S. Shin and A. P. Willard and M. Meuwly and M. Karplus},
year = {2020},
date = {2020-01-01},
journal = {J. Phys. Chem. B},
volume = {124},
pages = {6540-6554},
keywords = {Hemoglobin, Molecular Dynamics, Solvation},
pubstate = {published},
tppubtype = {article}
}
|
2019
|
| 3. | K. El Hage; F. Hedin; P. K. Gupta; M. Meuwly; M. Karplus
Response to Comment on “Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size” Journal Article In: eLife, vol. 8, pp. e45318, 2019. @article{MM.elhage.e:2019,
title = {Response to Comment on “Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size”},
author = {K. El Hage and F. Hedin and P. K. Gupta and M. Meuwly and M. Karplus
},
year = {2019},
date = {2019-01-01},
journal = {eLife},
volume = {8},
pages = {e45318},
keywords = {Hemoglobin, Molecular Simulation},
pubstate = {published},
tppubtype = {article}
}
|
2018
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| 4. | K. El Hage; F. Hedin; P. K. Gupta; M. Meuwly; M. Karplus Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size Journal Article In: eLife, vol. 7, pp. e35560, 2018. @article{MM.hemoglobin:2018,
title = {Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size},
author = {K. El Hage and F. Hedin and P. K. Gupta and M. Meuwly and M. Karplus},
year = {2018},
date = {2018-01-01},
journal = {eLife},
volume = {7},
pages = {e35560},
keywords = {Hemoglobin, Molecular Dynamics, Molecular Simulations},
pubstate = {published},
tppubtype = {article}
}
|
| 5. | A. K. Das; M. Meuwly Kinetics and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N Journal Article In: Angew. Chem. Int. Ed., vol. 57, pp. 3509, 2018. @article{MM.hemoglobin:2018,
title = {Kinetics and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated Hemoglobin N},
author = {A. K. Das and M. Meuwly},
year = {2018},
date = {2018-01-01},
journal = {Angew. Chem. Int. Ed.},
volume = {57},
pages = {3509},
keywords = {Competitive Ligand Binding, Dioxygenation, Hemoglobin, Kinetics, Nitric Oxide},
pubstate = {published},
tppubtype = {article}
}
|
2016
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| 6. | P. K. Gupta; M. Meuwly Ligand and Interfacial Dynamics in a Homodimeric Hemoglobin Journal Article In: Struc. Dyn., vol. 3, pp. 012003, 2016. @article{MM.gupta.sd:2016,
title = {Ligand and Interfacial Dynamics in a Homodimeric Hemoglobin},
author = {P. K. Gupta and M. Meuwly},
year = {2016},
date = {2016-01-01},
journal = {Struc. Dyn.},
volume = {3},
pages = {012003},
keywords = {Hemoglobin, Homodimer, Interfacial Dynamics, Ligand Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
