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October 27, 2021
CycFlowDec: A Python module for decomposing flow networks using simple cycles
Austen Bernardi, Jessica M J Swanson
Plos One
|
December 1, 2017
Structural analysis of human glycoprotein butyrylcholinesterase using atomistic molecular dynamics: The importance of glycosylation site ASN241
Austen Bernardi, Karl N Kirschner, Roland Faller
Journal of Chemical Theory and Computation
|
March 11, 2020
Confining Liquids inside Carbon Nanotubes: Accelerated Molecular Dynamics with Spliced, Soft-Core Potentials and Simulated Annealing
Austen Bernardi, Eric R Meshot, Roland Faller
The Journal of Physical Chemistry. B
|
January 10, 2025
Molecular Dynamics Simulations of Supercritical Carbon Dioxide and Water using TraPPE and SWM4-NDP Force Fields
Austen Bernardi, Jalen Macatangay, Sebastien Hamel, et al.
The Journal of Physical Chemistry. B
|
July 14, 2021
Toward a Multipathway Perspective: pH-Dependent Kinetic Selection of Competing Pathways and the Role of the Internal Glutamate in Cl<sup>-</sup>/H<sup>+</sup> Antiporters
Zhi Yue, Austen Bernardi, Chenghan Li, et al.
Plos One
|
August 7, 2020
Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain
Austen Bernardi, Yihan Huang, Bradley Harris, et al.
Membranes
|
November 24, 2023
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery
Austen Bernardi, W F Drew Bennett, Stewart He, et al.
Molecules (Basel, Switzerland)
|
August 10, 2024
ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling
W F Drew Bennett, Austen Bernardi, Tugba Nur Ozturk, et al.
Journal of Biomolecular Structure & Dynamics
|
August 23, 2021
Determining structure and action mechanism of LBF14 by molecular simulation
Florian Solbach, Austen Bernardi, Shivani Bansal, et al.
Frontiers in Plant Science
|
July 19, 2019
Effects of N-Glycosylation on the Structure, Function, and Stability of a Plant-Made Fc-Fusion Anthrax Decoy Protein
Yongao Xiong, Kalimuthu Karuppanan, Austen Bernardi, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Softwarex
|
October 27, 2021
CycFlowDec: A Python module for decomposing flow networks using simple cycles
Austen Bernardi, Jessica M J Swanson
Plos One
|
December 1, 2017
Structural analysis of human glycoprotein butyrylcholinesterase using atomistic molecular dynamics: The importance of glycosylation site ASN241
Austen Bernardi, Karl N Kirschner, Roland Faller
Journal of Chemical Theory and Computation
|
March 11, 2020
Confining Liquids inside Carbon Nanotubes: Accelerated Molecular Dynamics with Spliced, Soft-Core Potentials and Simulated Annealing
Austen Bernardi, Eric R Meshot, Roland Faller
The Journal of Physical Chemistry. B
|
January 10, 2025
Molecular Dynamics Simulations of Supercritical Carbon Dioxide and Water using TraPPE and SWM4-NDP Force Fields
Austen Bernardi, Jalen Macatangay, Sebastien Hamel, et al.
The Journal of Physical Chemistry. B
|
July 14, 2021
Toward a Multipathway Perspective: pH-Dependent Kinetic Selection of Competing Pathways and the Role of the Internal Glutamate in Cl<sup>-</sup>/H<sup>+</sup> Antiporters
Zhi Yue, Austen Bernardi, Chenghan Li, et al.
Plos One
|
August 7, 2020
Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain
Austen Bernardi, Yihan Huang, Bradley Harris, et al.
Membranes
|
November 24, 2023
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery
Austen Bernardi, W F Drew Bennett, Stewart He, et al.
Molecules (Basel, Switzerland)
|
August 10, 2024
ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling
W F Drew Bennett, Austen Bernardi, Tugba Nur Ozturk, et al.
Journal of Biomolecular Structure & Dynamics
|
August 23, 2021
Determining structure and action mechanism of LBF14 by molecular simulation
Florian Solbach, Austen Bernardi, Shivani Bansal, et al.
Frontiers in Plant Science
|
July 19, 2019
Effects of N-Glycosylation on the Structure, Function, and Stability of a Plant-Made Fc-Fusion Anthrax Decoy Protein
Yongao Xiong, Kalimuthu Karuppanan, Austen Bernardi, et al.
Page
of 1