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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 enzymes
Jerry 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 Scales
Demian 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 Aquacobalamin
Ryne 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 Solution
Peng 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 resistance
Anna 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 surface
Hao 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 Complexes
Sambit 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 Docking
Jason 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 Inhibitors
Helen I Zgurskaya, John K Walker, Jerry M Parks, et al.
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of 10
Search research articles
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Showing results (11-20 of 97) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
December 3, 2008
A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes
Jerry 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 Scales
Demian 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 Aquacobalamin
Ryne 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 Solution
Peng 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 resistance
Anna 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 surface
Hao 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 Complexes
Sambit 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 Docking
Jason 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 Inhibitors
Helen I Zgurskaya, John K Walker, Jerry M Parks, et al.
Page
of 10