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Casper Steinmann

Showing results (21-30 of 31) with videos related to

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Journal of Chemical Theory and Computation|December 20, 2016
Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calculations of Nuclear Magnetic Resonance (NMR) Shielding Constants of Proteins with Application to Chemical Shift PredictionsCasper Steinmann, Lars Andersen Bratholm, Jógvan Magnus Haugaard Olsen, et al.
Journal of Chemical Theory and Computation|September 2, 2016
Computational Approach for Studying Optical Properties of DNA Systems in SolutionMorten Steen Nørby, Casper Steinmann, Jógvan Magnus Haugaard Olsen, et al.
Peerj|July 16, 2014
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+Jimmy C Kromann, Anders S Christensen, Casper Steinmann, et al.
Pharmaceutics|March 26, 2022
Supramolecular Complexes of Plant Neurotoxin Veratridine with Cyclodextrins and Their Antidote-like Effect on Neuro-2a Cell ViabilityLaura A Uribe, Sandra Leonardo, Thorbjørn Terndrup Nielsen, et al.
Journal of Computational Chemistry|February 5, 2017
An averaged polarizable potential for multiscale modeling in phospholipid membranesSarah Witzke, Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen, et al.
Fitoterapia|July 22, 2025
Adding value to botanical resources: Metabolic network analysis along with high-resolution bioassays screening and UHPLC-qToF-high-resolution MS/MS profiling detail the pharmacological potential of underexplored Latin-American plantsChao Liang, Oliver Gericke, Yong Zhao, et al.
Medchemcomm|August 16, 2018
Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors: binding mode insights through magnesium complexation and site-directed mutagenesis studiesVasanthanathan Poongavanam, Angela Corona, Casper Steinmann, et al.
The Journal of Chemical Physics|July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistryEric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
Journal of Chemical Information and Modeling|January 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2Oleksandra Herasymenko, Madhushika Silva, Galen J Correy, et al.
Journal of Chemical Information and Modeling|November 5, 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated ProteinFengling Li, Suzanne Ackloo, Cheryl H Arrowsmith, et al.
Pageof 4

Showing results (21-30 of 31) with videos related to

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Pageof 4
Journal of Chemical Theory and Computation|December 20, 2016
Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calculations of Nuclear Magnetic Resonance (NMR) Shielding Constants of Proteins with Application to Chemical Shift PredictionsCasper Steinmann, Lars Andersen Bratholm, Jógvan Magnus Haugaard Olsen, et al.
Journal of Chemical Theory and Computation|September 2, 2016
Computational Approach for Studying Optical Properties of DNA Systems in SolutionMorten Steen Nørby, Casper Steinmann, Jógvan Magnus Haugaard Olsen, et al.
Peerj|July 16, 2014
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+Jimmy C Kromann, Anders S Christensen, Casper Steinmann, et al.
Pharmaceutics|March 26, 2022
Supramolecular Complexes of Plant Neurotoxin Veratridine with Cyclodextrins and Their Antidote-like Effect on Neuro-2a Cell ViabilityLaura A Uribe, Sandra Leonardo, Thorbjørn Terndrup Nielsen, et al.
Journal of Computational Chemistry|February 5, 2017
An averaged polarizable potential for multiscale modeling in phospholipid membranesSarah Witzke, Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen, et al.
Fitoterapia|July 22, 2025
Adding value to botanical resources: Metabolic network analysis along with high-resolution bioassays screening and UHPLC-qToF-high-resolution MS/MS profiling detail the pharmacological potential of underexplored Latin-American plantsChao Liang, Oliver Gericke, Yong Zhao, et al.
Medchemcomm|August 16, 2018
Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors: binding mode insights through magnesium complexation and site-directed mutagenesis studiesVasanthanathan Poongavanam, Angela Corona, Casper Steinmann, et al.
The Journal of Chemical Physics|July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistryEric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
Journal of Chemical Information and Modeling|January 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2Oleksandra Herasymenko, Madhushika Silva, Galen J Correy, et al.
Journal of Chemical Information and Modeling|November 5, 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated ProteinFengling Li, Suzanne Ackloo, Cheryl H Arrowsmith, et al.
Pageof 4