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Journal of the American Chemical Society
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October 30, 2025
Molecular Origins of Simultaneous Chemo-, Enantio-, and Substrate Selectivity in Non-Natural Photoenzymatic Radical Reactions
Felipe Curtolo, Sijia S Dong
Journal of Chemical Theory and Computation
|
January 13, 2026
Modeling the Impact of Protein Mutations on Chemical Reactions for Biochemistry, Protein Engineering, and Drug Discovery
Zhongyue John Yang, Sijia S Dong
The Journal of Chemical Physics
|
June 24, 2025
Electronic structure theory with molecular point group symmetries on quantum annealers
Joseph W Desroches, Sijia S Dong
Chemical Science
|
June 24, 2021
Machine learning dielectric screening for the simulation of excited state properties of molecules and materials
Sijia S Dong, Marco Govoni, Giulia Galli
Journal of Chemical Theory and Computation
|
July 16, 2019
Nature of the 1<sup>1</sup>B<sub>u</sub> and 2<sup>1</sup>A<sub>g</sub> Excited States of Butadiene and the Goldilocks Principle of Basis Set Diffuseness
Sijia S Dong, Laura Gagliardi, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2018
Excitation spectra of retinal by multiconfiguration pair-density functional theory
Sijia S Dong, Laura Gagliardi, Donald G Truhlar
Chemmedchem
|
March 17, 2015
The predicted ensemble of low-energy conformations of human somatostatin receptor subtype 5 and the binding of antagonists
Sijia S Dong, Ravinder Abrol, William A Goddard
Methods in Cell Biology
|
October 2, 2017
Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods
Sijia S Dong, William A Goddard, Ravinder Abrol
Biophysical Journal
|
June 23, 2016
Conformational and Thermodynamic Landscape of GPCR Activation from Theory and Computation
Sijia S Dong, William A Goddard, Ravinder Abrol
Journal of Chemical Theory and Computation
|
April 11, 2023
Automated Active Space Selection with Dipole Moments
Benjamin W Kaufold, Nithin Chintala, Pratima Pandeya, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of the American Chemical Society
|
October 30, 2025
Molecular Origins of Simultaneous Chemo-, Enantio-, and Substrate Selectivity in Non-Natural Photoenzymatic Radical Reactions
Felipe Curtolo, Sijia S Dong
Journal of Chemical Theory and Computation
|
January 13, 2026
Modeling the Impact of Protein Mutations on Chemical Reactions for Biochemistry, Protein Engineering, and Drug Discovery
Zhongyue John Yang, Sijia S Dong
The Journal of Chemical Physics
|
June 24, 2025
Electronic structure theory with molecular point group symmetries on quantum annealers
Joseph W Desroches, Sijia S Dong
Chemical Science
|
June 24, 2021
Machine learning dielectric screening for the simulation of excited state properties of molecules and materials
Sijia S Dong, Marco Govoni, Giulia Galli
Journal of Chemical Theory and Computation
|
July 16, 2019
Nature of the 1<sup>1</sup>B<sub>u</sub> and 2<sup>1</sup>A<sub>g</sub> Excited States of Butadiene and the Goldilocks Principle of Basis Set Diffuseness
Sijia S Dong, Laura Gagliardi, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2018
Excitation spectra of retinal by multiconfiguration pair-density functional theory
Sijia S Dong, Laura Gagliardi, Donald G Truhlar
Chemmedchem
|
March 17, 2015
The predicted ensemble of low-energy conformations of human somatostatin receptor subtype 5 and the binding of antagonists
Sijia S Dong, Ravinder Abrol, William A Goddard
Methods in Cell Biology
|
October 2, 2017
Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods
Sijia S Dong, William A Goddard, Ravinder Abrol
Biophysical Journal
|
June 23, 2016
Conformational and Thermodynamic Landscape of GPCR Activation from Theory and Computation
Sijia S Dong, William A Goddard, Ravinder Abrol
Journal of Chemical Theory and Computation
|
April 11, 2023
Automated Active Space Selection with Dipole Moments
Benjamin W Kaufold, Nithin Chintala, Pratima Pandeya, et al.
Page
of 3