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Chemical Research in Toxicology
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September 7, 2017
Computational Simulations of DNA Polymerases: Detailed Insights on Structure/Function/Mechanism from Native Proteins to Cancer Variants
Alice R Walker, G Andrés Cisneros
Journal of Computational Chemistry
|
May 3, 2025
Adaptive Restraints to Accelerate Geometry Optimizations of Large Biomolecular Systems
Mark A Hix, Alice R Walker
The Journal of Physical Chemistry. B
|
October 23, 2023
Dimer Interface Destabilization of Photodissociative Dronpa Driven by Asymmetric Monomer Dynamics
Christina H McCulley, Alice R Walker
Journal of Chemical Information and Modeling
|
September 29, 2023
AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations
Mark A Hix, Alice R Walker
The Journal of Physical Chemistry. B
|
March 27, 2019
Unfolding Pathways of Hen Egg-White Lysozyme in Ethanol
Alice R Walker, Nikhil Baddam, G Andrés Cisneros
Journal of Chemical Information and Modeling
|
March 3, 2025
Strategic Design of Fluorescent Perylene-Modified Nucleic Acid Monomers: Position-, Phosphorylation-, and Linker-Dependent Control of Electron Transfer
Solomon Y Effah, Mark A Hix, Alice R Walker
Chembiochem : a European Journal of Chemical Biology
|
February 14, 2023
Exploring the Effects of Mutagenesis on FusionRed by Using Excited-State QM/MM Dynamics and Classical Force Field Simulations
Ashlyn R Murphy, Mark A Hix, Alice R Walker
The Journal of Chemical Physics
|
July 8, 2026
Simulations of solvent effects on excited state dynamics of p-DAPA, a red single benzene-based fluorophore
Anita Houston Adams, Mark A Hix, Alice R Walker
Journal of Chemical Information and Modeling
|
June 9, 2026
Librarian of Alexandria: A Modular Chemical Data Extraction Pipeline to Compare LLM Performance
Morgan Grougan, Janya Subasinghe, Mark A Hix, et al.
Angewandte Chemie (International Ed. in English)
|
June 7, 2023
Rational Design and Expedient Synthesis of Heparan Sulfate Mimetics from Natural Aminoglycosides for Structure and Activity Relationship Studies
Joseph Wakpal, Vishaka Pathiranage, Alice R Walker, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 33) with videos related to
Sort By:
Page
of 4
Chemical Research in Toxicology
|
September 7, 2017
Computational Simulations of DNA Polymerases: Detailed Insights on Structure/Function/Mechanism from Native Proteins to Cancer Variants
Alice R Walker, G Andrés Cisneros
Journal of Computational Chemistry
|
May 3, 2025
Adaptive Restraints to Accelerate Geometry Optimizations of Large Biomolecular Systems
Mark A Hix, Alice R Walker
The Journal of Physical Chemistry. B
|
October 23, 2023
Dimer Interface Destabilization of Photodissociative Dronpa Driven by Asymmetric Monomer Dynamics
Christina H McCulley, Alice R Walker
Journal of Chemical Information and Modeling
|
September 29, 2023
AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations
Mark A Hix, Alice R Walker
The Journal of Physical Chemistry. B
|
March 27, 2019
Unfolding Pathways of Hen Egg-White Lysozyme in Ethanol
Alice R Walker, Nikhil Baddam, G Andrés Cisneros
Journal of Chemical Information and Modeling
|
March 3, 2025
Strategic Design of Fluorescent Perylene-Modified Nucleic Acid Monomers: Position-, Phosphorylation-, and Linker-Dependent Control of Electron Transfer
Solomon Y Effah, Mark A Hix, Alice R Walker
Chembiochem : a European Journal of Chemical Biology
|
February 14, 2023
Exploring the Effects of Mutagenesis on FusionRed by Using Excited-State QM/MM Dynamics and Classical Force Field Simulations
Ashlyn R Murphy, Mark A Hix, Alice R Walker
The Journal of Chemical Physics
|
July 8, 2026
Simulations of solvent effects on excited state dynamics of p-DAPA, a red single benzene-based fluorophore
Anita Houston Adams, Mark A Hix, Alice R Walker
Journal of Chemical Information and Modeling
|
June 9, 2026
Librarian of Alexandria: A Modular Chemical Data Extraction Pipeline to Compare LLM Performance
Morgan Grougan, Janya Subasinghe, Mark A Hix, et al.
Angewandte Chemie (International Ed. in English)
|
June 7, 2023
Rational Design and Expedient Synthesis of Heparan Sulfate Mimetics from Natural Aminoglycosides for Structure and Activity Relationship Studies
Joseph Wakpal, Vishaka Pathiranage, Alice R Walker, et al.
Page
of 4