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Cecilia Clementi
Person information
- affiliation: Rice University, Houston, TX, USA
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2020 – today
- 2023
- [j6]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
:
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. Briefings Bioinform. 24(4) (2023) - [i8]Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Robert Pinsler, Rianne van den Berg:
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics. CoRR abs/2302.00600 (2023) - 2022
- [i7]Jonas Köhler
, Yaoyi Chen, Andreas Krämer
, Cecilia Clementi, Frank Noé:
Force-matching Coarse-Graining without Forces. CoRR abs/2203.11167 (2022) - [i6]Maciej Majewski, Adrià Pérez, Philipp Thölke
, Stefan Doerr, Nicholas E. Charron, Toni Giorgino, Brooke E. Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis:
Machine Learning Coarse-Grained Potentials of Protein Thermodynamics. CoRR abs/2212.07492 (2022) - 2021
- [j5]Feliks Nüske
, Péter Koltai
, Lorenzo Boninsegna, Cecilia Clementi:
Spectral Properties of Effective Dynamics from Conditional Expectations. Entropy 23(2): 134 (2021) - [j4]Xingcheng Lin
, Jason T. George
, Nicholas P. Schafer, Kevin Ng Chau
, Michael E. Birnbaum
, Cecilia Clementi, José N. Onuchic, Herbert Levine
:
Rapid assessment of T-cell receptor specificity of the immune repertoire. Nat. Comput. Sci. 1(5): 362-373 (2021) - 2020
- [i5]Stefan Doerr, Maciej Majewski
, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noé, Toni Giorgino, Gianni De Fabritiis:
TorchMD: A deep learning framework for molecular simulations. CoRR abs/2012.12106 (2020)
2010 – 2019
- 2019
- [c3]John R. Ossyra, Ada Sedova
, Arnold N. Tharrington
, Frank Noé
, Cecilia Clementi
, Jeremy C. Smith
:
Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer. ISC Workshops 2019: 397-417 - [i4]Feliks Nüske, Patrick Gelß, Stefan Klus, Cecilia Clementi:
Tensor-based EDMD for the Koopman analysis of high-dimensional systems. CoRR abs/1908.04741 (2019) - [i3]Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi:
Machine learning for molecular simulation. CoRR abs/1911.02792 (2019) - 2018
- [i2]Jiang Wang, Christoph Wehmeyer, Frank Noé, Cecilia Clementi:
Machine Learning of coarse-grained Molecular Dynamics Force Fields. CoRR abs/1812.01736 (2018) - 2016
- [c2]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska
, Cecilia Clementi, Charles A. Laughton
, Shantenu Jha
:
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. eScience 2016: 361-370 - [i1]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha:
ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques. CoRR abs/1606.00093 (2016) - 2014
- [j3]Mary A. Rohrdanz, Wenwei Zheng
, Bradley Lambeth, Jocelyne Vreede, Cecilia Clementi:
Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble. PLoS Comput. Biol. 10(10) (2014) - 2013
- [c1]Mary A. Rohrdanz, Wenwei Zheng, Bradley Lambeth, Cecilia Clementi:
Multiscale characterization of macromolecular dynamics: application to photoacitve yellow protein. XSEDE 2013: 4:1-4:4
2000 – 2009
- 2007
- [j2]Amarda Shehu
, Cecilia Clementi, Lydia E. Kavraki
:
Sampling Conformation Space to Model Equilibrium Fluctuations in Proteins. Algorithmica 48(4): 303-327 (2007) - 2006
- [j1]Payel Das, Mark Moll
, Hernán Stamati, Lydia E. Kavraki
, Cecilia Clementi:
Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction. Proc. Natl. Acad. Sci. USA 103(26): 9885-9890 (2006)
Coauthor Index
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