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Journal of Chemical Theory and Computation
|
December 3, 2015
Using Molecular Dynamics Simulations To Provide New Insights into Protein Structure on the Nanosecond Timescale: Comparison with Experimental Data and Biological Inferences for the Hyaluronan-Binding Link Module of TSG-6
Andrew Almond, Charles D Blundell, Victoria A Higman, et al.
Journal of Chemical Information and Modeling
|
April 7, 2018
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
Fang-Yu Lin, Pedro E M Lopes, Edward Harder, et al.
Journal of Chemical Theory and Computation
|
February 4, 2021
Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel
Van Ngo, Hui Li, Alexander D MacKerell, et al.
Chemical Reviews
|
May 30, 2019
Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin, et al.
The Journal of Chemical Physics
|
November 4, 2017
Mapping the Drude polarizable force field onto a multipole and induced dipole model
Jing Huang, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Medicinal Chemistry
|
July 17, 2007
Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targets
Lena M Furci, Pedro Lopes, Suntara Eakanunkul, et al.
Journal of Chemical Theory and Computation
|
April 20, 2010
Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field
Christopher M Baker, Pedro E M Lopes, Xiao Zhu, et al.
The Journal of Physical Chemistry. B
|
January 21, 2020
Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acid Micellar System
Mattia Turchi, Abhishek A Kognole, Anmol Kumar, et al.
The Journal of Physical Chemistry. B
|
June 15, 2016
Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation
Yuan Feng, Jing Huang, Seongheun Kim, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research
|
November 25, 2016
The Expanding Role of the BCL6 Oncoprotein as a Cancer Therapeutic Target
Mariano G Cardenas, Erin Oswald, Wenbo Yu, et al.
Page
of 41
Search research articles
Search
Showing results (251-260 of 403) with videos related to
Sort By:
Page
of 41
Journal of Chemical Theory and Computation
|
December 3, 2015
Using Molecular Dynamics Simulations To Provide New Insights into Protein Structure on the Nanosecond Timescale: Comparison with Experimental Data and Biological Inferences for the Hyaluronan-Binding Link Module of TSG-6
Andrew Almond, Charles D Blundell, Victoria A Higman, et al.
Journal of Chemical Information and Modeling
|
April 7, 2018
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
Fang-Yu Lin, Pedro E M Lopes, Edward Harder, et al.
Journal of Chemical Theory and Computation
|
February 4, 2021
Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel
Van Ngo, Hui Li, Alexander D MacKerell, et al.
Chemical Reviews
|
May 30, 2019
Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin, et al.
The Journal of Chemical Physics
|
November 4, 2017
Mapping the Drude polarizable force field onto a multipole and induced dipole model
Jing Huang, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Medicinal Chemistry
|
July 17, 2007
Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targets
Lena M Furci, Pedro Lopes, Suntara Eakanunkul, et al.
Journal of Chemical Theory and Computation
|
April 20, 2010
Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field
Christopher M Baker, Pedro E M Lopes, Xiao Zhu, et al.
The Journal of Physical Chemistry. B
|
January 21, 2020
Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acid Micellar System
Mattia Turchi, Abhishek A Kognole, Anmol Kumar, et al.
The Journal of Physical Chemistry. B
|
June 15, 2016
Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation
Yuan Feng, Jing Huang, Seongheun Kim, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research
|
November 25, 2016
The Expanding Role of the BCL6 Oncoprotein as a Cancer Therapeutic Target
Mariano G Cardenas, Erin Oswald, Wenbo Yu, et al.
Page
of 41