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Adrian E Roitberg

Showing results (101-110 of 119) with videos related to

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Chemical Communications (Cambridge, England)|September 17, 2020
Selective ring-rearrangement or ring-closing metathesis of bicyclo[3.2.1]octenesEvgeniya Semenova, Ouidad Lahtigui, Sarah K Scott, et al.
The Journal of Physical Chemistry. B|December 10, 2016
Theoretical Insights into the Reaction and Inhibition Mechanism of Metal-Independent Retaining Glycosyltransferase Responsible for Mycothiol BiosynthesisJuan I Blanco Capurro, Chad W Hopkins, Gustavo Pierdominici Sottile, et al.
International Journal of Mass Spectrometry|July 24, 2018
Cation-Dependent Conformations in 25-Hydroxyvitamin D3-Cation Adducts Measured by Ion Mobility-Mass Spectrometry and Theoretical ModelingChristopher D Chouinard, Vinicius Wilian D Cruzeiro, Robin H J Kemperman, et al.
Journal of the American Chemical Society|July 1, 2015
Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of ExcitationsJohan F Galindo, Evrim Atas, Aysun Altan, et al.
Chemical Communications (Cambridge, England)|July 9, 2015
Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenemsJosé Rogério A Silva, Thavendran Govender, Glenn E M Maguire, et al.
Nature Communications|July 3, 2019
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJustin S Smith, Benjamin T Nebgen, Roman Zubatyuk, et al.
Journal of Chemical Theory and Computation|August 2, 2018
Transferable Dynamic Molecular Charge Assignment Using Deep Neural NetworksBenjamin Nebgen, Nicholas Lubbers, Justin S Smith, et al.
The Journal of Physical Chemistry. B|August 14, 2019
Folding and Dynamics Are Strongly pH-Dependent in a Psychrophile FrataxinRodolfo M González-Lebrero, Lucas Defelipe, Carlos Modenutti, et al.
The Journal of Physical Chemistry Letters|July 25, 2018
Discovering a Transferable Charge Assignment Model Using Machine LearningAndrew E Sifain, Nicholas Lubbers, Benjamin T Nebgen, et al.
Chemical Reviews|February 11, 2020
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular MaterialsTammie R Nelson, Alexander J White, Josiah A Bjorgaard, et al.
Pageof 12

Showing results (101-110 of 119) with videos related to

Sort By:
Pageof 12
Chemical Communications (Cambridge, England)|September 17, 2020
Selective ring-rearrangement or ring-closing metathesis of bicyclo[3.2.1]octenesEvgeniya Semenova, Ouidad Lahtigui, Sarah K Scott, et al.
The Journal of Physical Chemistry. B|December 10, 2016
Theoretical Insights into the Reaction and Inhibition Mechanism of Metal-Independent Retaining Glycosyltransferase Responsible for Mycothiol BiosynthesisJuan I Blanco Capurro, Chad W Hopkins, Gustavo Pierdominici Sottile, et al.
International Journal of Mass Spectrometry|July 24, 2018
Cation-Dependent Conformations in 25-Hydroxyvitamin D3-Cation Adducts Measured by Ion Mobility-Mass Spectrometry and Theoretical ModelingChristopher D Chouinard, Vinicius Wilian D Cruzeiro, Robin H J Kemperman, et al.
Journal of the American Chemical Society|July 1, 2015
Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of ExcitationsJohan F Galindo, Evrim Atas, Aysun Altan, et al.
Chemical Communications (Cambridge, England)|July 9, 2015
Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenemsJosé Rogério A Silva, Thavendran Govender, Glenn E M Maguire, et al.
Nature Communications|July 3, 2019
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJustin S Smith, Benjamin T Nebgen, Roman Zubatyuk, et al.
Journal of Chemical Theory and Computation|August 2, 2018
Transferable Dynamic Molecular Charge Assignment Using Deep Neural NetworksBenjamin Nebgen, Nicholas Lubbers, Justin S Smith, et al.
The Journal of Physical Chemistry. B|August 14, 2019
Folding and Dynamics Are Strongly pH-Dependent in a Psychrophile FrataxinRodolfo M González-Lebrero, Lucas Defelipe, Carlos Modenutti, et al.
The Journal of Physical Chemistry Letters|July 25, 2018
Discovering a Transferable Charge Assignment Model Using Machine LearningAndrew E Sifain, Nicholas Lubbers, Benjamin T Nebgen, et al.
Chemical Reviews|February 11, 2020
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular MaterialsTammie R Nelson, Alexander J White, Josiah A Bjorgaard, et al.
Pageof 12