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PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included
PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included
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PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included

Cespugli, Marco ; Durmaz, Vedat ; Steinkellner, Georg ; Gruber, Christian C.

figshare 2020

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2
Conformations
Conformations
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Conformations

Aguiar, Isabelle Caroline A. Silva ; Stefani, Ricardo

figshare 2019

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3
MOESM1 of A cautionary note on the use of chromosome conformation capture in plants
MOESM1 of A cautionary note on the use of chromosome conformation capture in plants
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MOESM1 of A cautionary note on the use of chromosome conformation capture in plants

Jamge, Suraj ; Stam, Maike ; Angenent, Gerco ; Immink, Richard

Figshare 2017

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4
AI3SD Video: DeepDock: a deep learning approach to predict ligand binding conformations
AI3SD Video: DeepDock: a deep learning approach to predict ligand binding conformations
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AI3SD Video: DeepDock: a deep learning approach to predict ligand binding conformations

Méndez-Lucio, Oscar

University of Southampton 2021

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5
AI3SD Video: Designing molecular models by machine learning and experimental data
AI3SD Video: Designing molecular models by machine learning and experimental data
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AI3SD Video: Designing molecular models by machine learning and experimental data

Clementi, Cecilia

University of Southampton 2021

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6
Combining Molecular Dynamics and Biopolymer Docking
Combining Molecular Dynamics and Biopolymer Docking
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Combining Molecular Dynamics and Biopolymer Docking

Melvin, Ryan ; Salsbury, Freddie

figshare 2015

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7
Supplementary Information: Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study
Supplementary Information: Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study
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Supplementary Information: Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study

Gao, Wei

figshare 2024

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8
Paradoxical effect of Aβ on protein levels of ABCA1 in astrocytes, microglia, and neurons isolated from C57BL/6 mice: an in vitro and in silico study to elucidate the effect of Aβ on ABCA1 in the brain cells
Paradoxical effect of Aβ on protein levels of ABCA1 in astrocytes, microglia, and neurons isolated from C57BL/6 mice: an in vitro and in silico study to elucidate the effect of Aβ on ABCA1 in the brain cells
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Paradoxical effect of Aβ on protein levels of ABCA1 in astrocytes, microglia, and neurons isolated from C57BL/6 mice: an in vitro and in silico study to elucidate the effect of Aβ on ABCA1 in the brain cells

Zarezade, Vahid ; Nazeri, Zahra ; Azizidoost, Shirin ; Cheraghzadeh, Maryam ; Babaahmadi-Rezaei, Hossein ; Kheirollah, Alireza

Taylor & Francis 2023

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9
Deciphering the molecular recognition mechanism of multidrug resistance Staphylococcus aureus NorA efflux pump using a Supervised Molecular Dynamics approach
Deciphering the molecular recognition mechanism of multidrug resistance Staphylococcus aureus NorA efflux pump using a Supervised Molecular Dynamics approach
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Deciphering the molecular recognition mechanism of multidrug resistance Staphylococcus aureus NorA efflux pump using a Supervised Molecular Dynamics approach

Palazzotti, Deborah ; Moro, Stefano

Zenodo 2019

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10
Revisiting the allosteric regulation of sodium cation on the binding of adenosine at the human A2A adenosine receptors: insights from Supervised Molecular Dynamics (SuMD) simulations
Revisiting the allosteric regulation of sodium cation on the binding of adenosine at the human A2A adenosine receptors: insights from Supervised Molecular Dynamics (SuMD) simulations
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Revisiting the allosteric regulation of sodium cation on the binding of adenosine at the human A2A adenosine receptors: insights from Supervised Molecular Dynamics (SuMD) simulations

Moro, Stefano

Zenodo 2019

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