Machine Learning of Coarse-Grained Molecular Dynamics Force Fields von Wang, Jiang, Olsson, Simon, Wehmeyer, Christoph, Pérez, Adrià, Charron, Nicholas E, de Fabritiis, Gianni, Noé, Frank, Clementi, Cecilia

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Machine learning coarse-grained potentials of protein thermodynamics von Majewski, Maciej, Pérez, Adrià, Thölke, Philipp, Doerr, Stefan, Charron, Nicholas E., Giorgino, Toni, Husic, Brooke E., Clementi, Cecilia, Noé, Frank, De Fabritiis, Gianni

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Comparative Study of the Condensing Effects of Ergosterol and Cholesterol von Hung, Wei-Chin, Lee, Ming-Tao, Chung, Hsien, Sun, Yi-Ting, Chen, Hsiung, Charron, Nicholas E., Huang, Huey W.

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Coarse graining molecular dynamics with graph neural networks von Husic, Brooke E., Charron, Nicholas E., Lemm, Dominik, Wang, Jiang, Pérez, Adrià, Majewski, Maciej, Krämer, Andreas, Chen, Yaoyi, Olsson, Simon, de Fabritiis, Gianni, Noé, Frank, Clementi, Cecilia

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Machine learning implicit solvation for molecular dynamics von Chen, Yaoyi, Krämer, Andreas, Charron, Nicholas E., Husic, Brooke E., Clementi, Cecilia, Noé, Frank

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Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution von Shmilovich, Kirill, Stieffenhofer, Marc, Charron, Nicholas E., Hoffmann, Moritz

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Understanding membrane-active antimicrobial peptides von Huang, Huey W., Charron, Nicholas E.

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Machine learned coarse-grained protein force-fields: Are we there yet? von Durumeric, Aleksander E.P., Charron, Nicholas E., Templeton, Clark, Musil, Félix, Bonneau, Klara, Pasos-Trejo, Aldo S., Chen, Yaoyi, Kelkar, Atharva, Noé, Frank, Clementi, Cecilia

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Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics von Krämer, Andreas, Durumeric, Aleksander E. P., Charron, Nicholas E., Chen, Yaoyi, Clementi, Cecilia, Noé, Frank

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Comparison of the Effects of Daptomycin on Bacterial and Model Membranes von Lee, Ming-Tao, Yang, Pei-Yin, Charron, Nicholas E, Hsieh, Meng-Hsuan, Chang, Yu-Yung, Huang, Huey W

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Structural and Mechanical Effects of Calcium on the Lipid Bilayer von Charron, Nicholas E., Yin Yang, Pei, Huang, Huey W.

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Machine learning coarse-grained potentials of protein thermodynamics von Majewski, Maciej, Pérez, Adrià, Thölke, Philipp, Doerr, Stefan, 1987, Charron, Nicholas E, Giorgino, Toni, Husic, Brooke E, Clementi, Cecilia, Noé, Frank, De Fabritiis, Gianni

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How does the Membrane-Active Antibiotic Daptomycin Work? von Huang, Huey W., Charron, Nicholas E., Lee, Ming-Tao, Hsieh, Meng-Hsuan, Chang, Yu-Yung

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Interaction of Daptomycin and Calcium with Lipid Bilayers von Charron, Nicholas E., Chang, Yuan-Pang, Lee, Ming-Tao, Huang, Huey W.

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Comparison of the Effects of Daptomycin on Bacterial and Model Membranes von Lee, Ming-Tao, Yang, Pei-Yin, Charron, Nicholas E., Hsieh, Meng-Hsuan, Chang, Yu-Yung, Hung, Wei-Chin, Huang, Huey W.

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Machine learning of coarse-grained molecular dynamics force fields von Wang, Jiang, Olsson, Simon, Wehmeyer, Christoph, Pérez, Adrià, Charron, Nicholas E, De Fabritiis, Gianni, Noé, Frank, Clementi, Cecilia

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Temporally coherent backmapping of molecular trajectories from coarse-grained to atomistic resolution von Shmilovich, Kirill, Stieffenhofer, Marc, Charron, Nicholas E, Hoffmann, Moritz

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Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution von Shmilovich, Kirill, Stieffenhofer, Marc, Charron, Nicholas E, Hoffmann, Moritz

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Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics von Krämer, Andreas, Durumeric, Aleksander P, Charron, Nicholas E, Chen, Yaoyi, Clementi, Cecilia, Noé, Frank

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Machine Learning Implicit Solvation for Molecular Dynamics von Chen, Yaoyi, Krämer, Andreas, Charron, Nicholas E, Husic, Brooke E, Clementi, Cecilia, Noé, Frank

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