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Journal of Chemical Information and Modeling|May 6, 2020
Matched Molecular Series Analysis for ADME Property PredictionMahendra Awale, Sereina Riniker, Christian KramerJournal of Chemical Information and Modeling|February 1, 2021
The Playbooks of Medicinal Chemistry Design MovesMahendra Awale, Jérôme Hert, Laura Guasch, et al.Journal 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|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 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 RinikerPageof 23