Cecilia Clementi

18 papers Journal 15Unranked 3

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models. CoRR Yu Xie, Ludwig Winkler, Lixin Sun, Sarah Lewis, Adam Evan Foster, José Jiménez-Luna, Tim Hempel, Michael Gastegger, Yaoyi Chen, Iryna Zaporozhets, Cecilia Clementi, Christopher M. Bishop, Frank Noé
2023	J	`jnl`	EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. Briefings Bioinform. Anja Conev, Maurício Menegatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala, Martiela Vaz de Freitas, Cecilia Clementi, Geancarlo Zanatta, Dinler Amaral Antunes, Lydia E. Kavraki
2023	J	`jnl`	Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics. CoRR Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Robert Pinsler, Rianne van den Berg
2022	J	`jnl`	Force-matching Coarse-Graining without Forces. CoRR Jonas Köhler, Yaoyi Chen, Andreas Krämer, Cecilia Clementi, Frank Noé
2022	J	`jnl`	Machine Learning Coarse-Grained Potentials of Protein Thermodynamics. CoRR Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas E. Charron, Toni Giorgino, Brooke E. Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis
2021	J	`jnl`	Rapid assessment of T-cell receptor specificity of the immune repertoire. Nat. Comput. Sci. Xingcheng Lin, Jason T. George, Nicholas P. Schafer, Kevin Ng Chau, Michael E. Birnbaum, Cecilia Clementi, José N. Onuchic, Herbert Levine
2021	J	`jnl`	Spectral Properties of Effective Dynamics from Conditional Expectations. Entropy Feliks Nüske, Péter Koltai, Lorenzo Boninsegna, Cecilia Clementi
2020	J	`jnl`	TorchMD: A deep learning framework for molecular simulations. CoRR Stefan Doerr, Maciej Majewski, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noé, Toni Giorgino, Gianni De Fabritiis
2019	J	`jnl`	Machine learning for molecular simulation. CoRR Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi
2019	—	`conf`	Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer. ISC Workshops John R. Ossyra, Ada Sedova, Arnold N. Tharrington, Frank Noé, Cecilia Clementi, Jeremy C. Smith
2019	J	`jnl`	Tensor-based EDMD for the Koopman analysis of high-dimensional systems. CoRR Feliks Nüske, Patrick Gelß, Stefan Klus, Cecilia Clementi
2018	J	`jnl`	Machine Learning of coarse-grained Molecular Dynamics Force Fields. CoRR Jiang Wang, Christoph Wehmeyer, Frank Noé, Cecilia Clementi
2016	J	`jnl`	ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques. CoRR Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha
2016	—	`conf`	ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. eScience Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha
2014	J	`jnl`	Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble. PLoS Comput. Biol. Mary A. Rohrdanz, Wenwei Zheng, Bradley Lambeth, Jocelyne Vreede, Cecilia Clementi
2013	—	`conf`	Multiscale characterization of macromolecular dynamics: application to photoacitve yellow protein. XSEDE Mary A. Rohrdanz, Wenwei Zheng, Bradley Lambeth, Cecilia Clementi
2007	J	`jnl`	Sampling Conformation Space to Model Equilibrium Fluctuations in Proteins. Algorithmica Amarda Shehu, Cecilia Clementi, Lydia E. Kavraki
2006	J	`jnl`	Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction. Proc. Natl. Acad. Sci. USA Payel Das, Mark Moll, Hernán Stamati, Lydia E. Kavraki, Cecilia Clementi