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Jerry M Parks

Showing results (11-20 of 97) with videos related to

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The Journal of Chemical Physics|December 3, 2008
A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymesJerry M Parks, Hao Hu, Aron J Cohen, et al.
Journal of Chemical Information and Modeling|March 21, 2015
HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple ScalesDemian Riccardi, Jerry M Parks, Alexander Johs, et al.
The Journal of Physical Chemistry. B|July 9, 2016
Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of AquacobalaminRyne C Johnston, Jing Zhou, Jeremy C Smith, et al.
The Journal of Physical Chemistry. A|April 11, 2018
Quantum Chemical Calculation of p K<sub>a</sub>s of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines, and Thiols in Aqueous SolutionPeng Lian, Ryne C Johnston, Jerry M Parks, et al.
Chemical Biology & Drug Design|April 19, 2017
Toward the rational design of macrolide antibiotics to combat resistanceAnna Pavlova, Jerry M Parks, Adegboyega K Oyelere, et al.
The Journal of Chemical Physics|January 22, 2008
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surfaceHao Hu, Zhenyu Lu, Jerry M Parks, et al.
The Journal of Physical Chemistry. B|June 2, 2021
Hotspot Coevolution Is a Key Identifier of Near-Native Protein ComplexesSambit K Mishra, Connor J Cooper, Jerry M Parks, et al.
ACS Omega|March 16, 2026
IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand DockingJason Andrew Amburn, Shalini J Rukmani, Jerry M Parks, et al.
Inorganic Chemistry|January 1, 2014
Mercury methylation by HgcA: theory supports carbanion transfer to Hg(II)Jing Zhou, Demian Riccardi, Ariana Beste, et al.
Accounts of Chemical Research|February 4, 2021
Multidrug Efflux Pumps and the Two-Faced Janus of Substrates and InhibitorsHelen I Zgurskaya, John K Walker, Jerry M Parks, et al.
Pageof 10

Showing results (11-20 of 97) with videos related to

Sort By:
Pageof 10
The Journal of Chemical Physics|December 3, 2008
A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymesJerry M Parks, Hao Hu, Aron J Cohen, et al.
Journal of Chemical Information and Modeling|March 21, 2015
HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple ScalesDemian Riccardi, Jerry M Parks, Alexander Johs, et al.
The Journal of Physical Chemistry. B|July 9, 2016
Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of AquacobalaminRyne C Johnston, Jing Zhou, Jeremy C Smith, et al.
The Journal of Physical Chemistry. A|April 11, 2018
Quantum Chemical Calculation of p K<sub>a</sub>s of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines, and Thiols in Aqueous SolutionPeng Lian, Ryne C Johnston, Jerry M Parks, et al.
Chemical Biology & Drug Design|April 19, 2017
Toward the rational design of macrolide antibiotics to combat resistanceAnna Pavlova, Jerry M Parks, Adegboyega K Oyelere, et al.
The Journal of Chemical Physics|January 22, 2008
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surfaceHao Hu, Zhenyu Lu, Jerry M Parks, et al.
The Journal of Physical Chemistry. B|June 2, 2021
Hotspot Coevolution Is a Key Identifier of Near-Native Protein ComplexesSambit K Mishra, Connor J Cooper, Jerry M Parks, et al.
ACS Omega|March 16, 2026
IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand DockingJason Andrew Amburn, Shalini J Rukmani, Jerry M Parks, et al.
Inorganic Chemistry|January 1, 2014
Mercury methylation by HgcA: theory supports carbanion transfer to Hg(II)Jing Zhou, Demian Riccardi, Ariana Beste, et al.
Accounts of Chemical Research|February 4, 2021
Multidrug Efflux Pumps and the Two-Faced Janus of Substrates and InhibitorsHelen I Zgurskaya, John K Walker, Jerry M Parks, et al.
Pageof 10