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Journal of Chemical Theory and Computation
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February 25, 2026
Characterizing the Conformational Dynamics of the Ribose Transporter B Protein in <i>Escherichia coli</i>: Enhanced Sampling via Multiple Force Fields
Nikolai Juraschko, Florencia Klein Rocha, Syma Khalid
Biochimica Et Biophysica Acta
|
March 1, 2011
Exploring the conformational dynamics and membrane interactions of PorB from C. glutamicum: a multi-scale molecular dynamics simulation study
Ángel Piñeiro, Peter J Bond, Syma Khalid
Biochemistry
|
March 2, 2017
Through the Lipopolysaccharide Glass: A Potent Antimicrobial Peptide Induces Phase Changes in Membranes
Damien Jefferies, Pin-Chia Hsu, Syma Khalid
Journal of Chemical Theory and Computation
|
March 17, 2017
Correction to Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study
Thomas J Piggot, Ángel Piñeiro, Syma Khalid
QRB Discovery
|
May 1, 2024
Titratable residues that drive RND efflux: Insights from molecular simulations
Robert Clark, Kahlan E Newman, Syma Khalid
Accounts of Chemical Research
|
December 19, 2018
Atomistic and Coarse Grain Simulations of the Cell Envelope of Gram-Negative Bacteria: What Have We Learned?
Syma Khalid, Thomas J Piggot, Firdaus Samsudin
The Journal of Physical Chemistry. B
|
October 8, 2016
Molecular Dynamics Simulations Predict the Pathways via Which Pristine Fullerenes Penetrate Bacterial Membranes
Pin-Chia Hsu, Damien Jefferies, Syma Khalid
The Journal of Physical Chemistry Letters
|
August 13, 2016
The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric Profile
Timothy S Carpenter, Jamie Parkin, Syma Khalid
Structure (London, England : 1993)
|
February 5, 2019
Binding from Both Sides: TolR and Full-Length OmpA Bind and Maintain the Local Structure of the E. coli Cell Wall
Alister T Boags, Firdaus Samsudin, Syma Khalid
Journal of Chemical Information and Modeling
|
March 28, 2017
PyCGTOOL: Automated Generation of Coarse-Grained Molecular Dynamics Models from Atomistic Trajectories
James A Graham, Jonathan W Essex, Syma Khalid
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of 15
Search research articles
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Showing results (21-30 of 143) with videos related to
Sort By:
Page
of 15
Journal of Chemical Theory and Computation
|
February 25, 2026
Characterizing the Conformational Dynamics of the Ribose Transporter B Protein in <i>Escherichia coli</i>: Enhanced Sampling via Multiple Force Fields
Nikolai Juraschko, Florencia Klein Rocha, Syma Khalid
Biochimica Et Biophysica Acta
|
March 1, 2011
Exploring the conformational dynamics and membrane interactions of PorB from C. glutamicum: a multi-scale molecular dynamics simulation study
Ángel Piñeiro, Peter J Bond, Syma Khalid
Biochemistry
|
March 2, 2017
Through the Lipopolysaccharide Glass: A Potent Antimicrobial Peptide Induces Phase Changes in Membranes
Damien Jefferies, Pin-Chia Hsu, Syma Khalid
Journal of Chemical Theory and Computation
|
March 17, 2017
Correction to Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study
Thomas J Piggot, Ángel Piñeiro, Syma Khalid
QRB Discovery
|
May 1, 2024
Titratable residues that drive RND efflux: Insights from molecular simulations
Robert Clark, Kahlan E Newman, Syma Khalid
Accounts of Chemical Research
|
December 19, 2018
Atomistic and Coarse Grain Simulations of the Cell Envelope of Gram-Negative Bacteria: What Have We Learned?
Syma Khalid, Thomas J Piggot, Firdaus Samsudin
The Journal of Physical Chemistry. B
|
October 8, 2016
Molecular Dynamics Simulations Predict the Pathways via Which Pristine Fullerenes Penetrate Bacterial Membranes
Pin-Chia Hsu, Damien Jefferies, Syma Khalid
The Journal of Physical Chemistry Letters
|
August 13, 2016
The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric Profile
Timothy S Carpenter, Jamie Parkin, Syma Khalid
Structure (London, England : 1993)
|
February 5, 2019
Binding from Both Sides: TolR and Full-Length OmpA Bind and Maintain the Local Structure of the E. coli Cell Wall
Alister T Boags, Firdaus Samsudin, Syma Khalid
Journal of Chemical Information and Modeling
|
March 28, 2017
PyCGTOOL: Automated Generation of Coarse-Grained Molecular Dynamics Models from Atomistic Trajectories
James A Graham, Jonathan W Essex, Syma Khalid
Page
of 15