Showing results (1-10 of 146) with videos related to
Sort By:
Pageof 15
The Journal of Chemical Physics|April 8, 2017
Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactionsAnnick Renevey, Sereina RinikerThe Journal of Physical Chemistry. B|March 28, 2019
Benchmarking Hybrid Atomistic/Coarse-Grained Schemes for Proteins with an Atomistic Water LayerAnnick Renevey, Sereina RinikerEuropean Biophysics Journal : EBJ|October 17, 2016
The importance of N-methylations for the stability of the β⁶·³-helical conformation of polytheonamide BAnnick Renevey, Sereina RinikerJournal of Chemical Information and Modeling|March 7, 2018
Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An OverviewSereina RinikerJournal of Chemical Information and Modeling|April 4, 2017
Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy DifferencesSereina RinikerChimia|December 2, 2014
Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and backSereina RinikerThe Journal of Chemical Physics|July 10, 2023
Energy-based clustering: Fast and robust clustering of data with known likelihood functionsMoritz Thürlemann, Sereina RinikerJournal of Chemical Information and Modeling|July 31, 2018
Transition from Academia to Industry and BackAndrea Volkamer, Sereina RinikerPhysical Chemistry Chemical Physics : PCCP|February 28, 2019
Fast Nosé-Hoover thermostat: molecular dynamics in quasi-thermodynamic equilibriumDominik Sidler, Sereina RinikerJournal of Computer-Aided Molecular Design|November 21, 2019
Use of molecular dynamics fingerprints (MDFPs) in SAMPL6 octanol-water log P blind challengeShuzhe Wang, Sereina RinikerPageof 15