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Journal of Chemical Theory and Computation
|
September 3, 2016
Using Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered Peptides
Oleksandra Kukharenko, Kevin Sawade, Jakob Steuer, et al.
Journal of Chemical Theory and Computation
|
March 21, 2020
Machine Learning Driven Analysis of Large Scale Simulations Reveals Conformational Characteristics of Ubiquitin Chains
Andrej Berg, Leon Franke, Martin Scheffner, et al.
Plos One
|
April 25, 2013
Optimization of an elastic network augmented coarse grained model to study CCMV capsid deformation
Christoph Globisch, Venkatramanan Krishnamani, Markus Deserno, et al.
Plos Computational Biology
|
November 17, 2018
Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers
Andrej Berg, Oleksandra Kukharenko, Martin Scheffner, et al.
Frontiers in Chemistry
|
January 27, 2023
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
Simon Hunkler, Teresa Buhl, Oleksandra Kukharenko, et al.
Journal of Computational Chemistry
|
February 3, 2012
Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained models
Olga Bezkorovaynaya, Alexander Lukyanov, Kurt Kremer, et al.
Journal of Chemical Information and Modeling
|
October 25, 2019
EncoderMap(II): Visualizing Important Molecular Motions with Improved Generation of Protein Conformations
Tobias Lemke, Andrej Berg, Alok Jain, et al.
The Journal of Chemical Physics
|
October 24, 2019
Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration
Simon Hunkler, Tobias Lemke, Christine Peter, et al.
ACS Omega
|
December 16, 2020
Coarse-Grained Simulation of the Adsorption of Water on Au(111) Surfaces Using a Modified Stillinger-Weber Potential
Giorgio Ripani, Alexander Flachmüller, Christine Peter, et al.
The Journal of Chemical Physics
|
April 15, 2023
Fast conformational clustering of extensive molecular dynamics simulation data
Simon Hunkler, Kay Diederichs, Oleksandra Kukharenko, et al.
Page
of 9
Search research articles
Search
Showing results (21-30 of 83) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
September 3, 2016
Using Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered Peptides
Oleksandra Kukharenko, Kevin Sawade, Jakob Steuer, et al.
Journal of Chemical Theory and Computation
|
March 21, 2020
Machine Learning Driven Analysis of Large Scale Simulations Reveals Conformational Characteristics of Ubiquitin Chains
Andrej Berg, Leon Franke, Martin Scheffner, et al.
Plos One
|
April 25, 2013
Optimization of an elastic network augmented coarse grained model to study CCMV capsid deformation
Christoph Globisch, Venkatramanan Krishnamani, Markus Deserno, et al.
Plos Computational Biology
|
November 17, 2018
Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers
Andrej Berg, Oleksandra Kukharenko, Martin Scheffner, et al.
Frontiers in Chemistry
|
January 27, 2023
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
Simon Hunkler, Teresa Buhl, Oleksandra Kukharenko, et al.
Journal of Computational Chemistry
|
February 3, 2012
Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained models
Olga Bezkorovaynaya, Alexander Lukyanov, Kurt Kremer, et al.
Journal of Chemical Information and Modeling
|
October 25, 2019
EncoderMap(II): Visualizing Important Molecular Motions with Improved Generation of Protein Conformations
Tobias Lemke, Andrej Berg, Alok Jain, et al.
The Journal of Chemical Physics
|
October 24, 2019
Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration
Simon Hunkler, Tobias Lemke, Christine Peter, et al.
ACS Omega
|
December 16, 2020
Coarse-Grained Simulation of the Adsorption of Water on Au(111) Surfaces Using a Modified Stillinger-Weber Potential
Giorgio Ripani, Alexander Flachmüller, Christine Peter, et al.
The Journal of Chemical Physics
|
April 15, 2023
Fast conformational clustering of extensive molecular dynamics simulation data
Simon Hunkler, Kay Diederichs, Oleksandra Kukharenko, et al.
Page
of 9