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Journal of Chemical Theory and Computation
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December 1, 2015
Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories
Neil J Bruce, Richard A Bryce
Proteins
|
June 2, 2019
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties
Rudi Tong, Rebecca C Wade, Neil J Bruce
Proteins
|
September 27, 2016
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties
Rudi Tong, Rebecca C Wade, Neil J Bruce
Journal of Chemical Theory and Computation
|
March 30, 2021
Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics
Martin Reinhardt, Neil J Bruce, Daria B Kokh, et al.
Journal of Chemical Information and Modeling
|
August 6, 2019
KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding
Neil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
International Journal of Molecular Sciences
|
September 7, 2019
Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19
Ghulam Mustafa, Prajwal P Nandekar, Neil J Bruce, et al.
The Journal of Physical Chemistry. B
|
May 4, 2021
Simulation of the Positive Inotropic Peptide S100A1ct in Aqueous Environment by Gaussian Accelerated Molecular Dynamics
Manuel Glaser, Neil J Bruce, Sungho Bosco Han, et al.
Journal of Chemical Theory and Computation
|
July 15, 2025
Correction to "Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics"
Martin Reinhardt, Neil J Bruce, Daria B Kokh, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics
Irfan Alibay, Kepa K Burusco, Neil J Bruce, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2015
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach
Kepa K Burusco, Neil J Bruce, Irfan Alibay, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 1, 2015
Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories
Neil J Bruce, Richard A Bryce
Proteins
|
June 2, 2019
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties
Rudi Tong, Rebecca C Wade, Neil J Bruce
Proteins
|
September 27, 2016
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties
Rudi Tong, Rebecca C Wade, Neil J Bruce
Journal of Chemical Theory and Computation
|
March 30, 2021
Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics
Martin Reinhardt, Neil J Bruce, Daria B Kokh, et al.
Journal of Chemical Information and Modeling
|
August 6, 2019
KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding
Neil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
International Journal of Molecular Sciences
|
September 7, 2019
Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19
Ghulam Mustafa, Prajwal P Nandekar, Neil J Bruce, et al.
The Journal of Physical Chemistry. B
|
May 4, 2021
Simulation of the Positive Inotropic Peptide S100A1ct in Aqueous Environment by Gaussian Accelerated Molecular Dynamics
Manuel Glaser, Neil J Bruce, Sungho Bosco Han, et al.
Journal of Chemical Theory and Computation
|
July 15, 2025
Correction to "Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics"
Martin Reinhardt, Neil J Bruce, Daria B Kokh, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics
Irfan Alibay, Kepa K Burusco, Neil J Bruce, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2015
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach
Kepa K Burusco, Neil J Bruce, Irfan Alibay, et al.
Page
of 2