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Adrian E Roitberg

Showing results (111-120 of 119) with videos related to

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Journal of Biomolecular Structure & Dynamics|October 19, 2020
Exploring the concerted mechanistic pathway for HIV-1 PR-substrate revealed by umbrella sampling simulationZainab K Sanusi, Monsurat M Lawal, Pancham Lal Gupta, et al.
Nature Communications|June 15, 2018
Coherent exciton-vibrational dynamics and energy transfer in conjugated organicsTammie R Nelson, Dianelys Ondarse-Alvarez, Nicolas Oldani, et al.
Journal of Chemical Theory and Computation|March 4, 2025
Advancing Multiscale Molecular Modeling with Machine Learning-Derived ElectrostaticsJonathan A Semelak, Ignacio Pickering, Kate Huddleston, et al.
Chemmedchem|May 1, 2022
Anticancer Agents Derived from Cyclic Thiosulfonates: Structure-Reactivity and Structure-Activity RelationshipsAmanda F Ghilardi, Elham Yaaghubi, Renan B Ferreira, et al.
Nature Communications|October 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structuresRoman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Biorxiv : the Preprint Server for Biology|July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structuresRoman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Insect Biochemistry and Molecular Biology|November 6, 2008
Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoesJaime G Mayoral, Marcela Nouzova, Michiyo Yoshiyama, et al.
Journal of Chemical Theory and Computation|June 7, 2018
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD SoftwareAndrew E Sifain, Josiah A Bjorgaard, Tammie R Nelson, et al.
Journal of Chemical Theory and Computation|July 9, 2020
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics SimulationsWalter Malone, Benjamin Nebgen, Alexander White, et al.
Pageof 12

Showing results (111-120 of 119) with videos related to

Sort By:
Pageof 12
You have reached the last page of results.This site can display upto 119 results.
Journal of Biomolecular Structure & Dynamics|October 19, 2020
Exploring the concerted mechanistic pathway for HIV-1 PR-substrate revealed by umbrella sampling simulationZainab K Sanusi, Monsurat M Lawal, Pancham Lal Gupta, et al.
Nature Communications|June 15, 2018
Coherent exciton-vibrational dynamics and energy transfer in conjugated organicsTammie R Nelson, Dianelys Ondarse-Alvarez, Nicolas Oldani, et al.
Journal of Chemical Theory and Computation|March 4, 2025
Advancing Multiscale Molecular Modeling with Machine Learning-Derived ElectrostaticsJonathan A Semelak, Ignacio Pickering, Kate Huddleston, et al.
Chemmedchem|May 1, 2022
Anticancer Agents Derived from Cyclic Thiosulfonates: Structure-Reactivity and Structure-Activity RelationshipsAmanda F Ghilardi, Elham Yaaghubi, Renan B Ferreira, et al.
Nature Communications|October 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structuresRoman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Biorxiv : the Preprint Server for Biology|July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structuresRoman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Insect Biochemistry and Molecular Biology|November 6, 2008
Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoesJaime G Mayoral, Marcela Nouzova, Michiyo Yoshiyama, et al.
Journal of Chemical Theory and Computation|June 7, 2018
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD SoftwareAndrew E Sifain, Josiah A Bjorgaard, Tammie R Nelson, et al.
Journal of Chemical Theory and Computation|July 9, 2020
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics SimulationsWalter Malone, Benjamin Nebgen, Alexander White, et al.
Pageof 12