Cecilia Clementi

country of citizenship: United States of America, Italy

languages spoken, written or signed: English

educated at: International School for Advanced Studies

official website: www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi/team/Cecilia.html

Cecilia Clementi is an Italian-American scientist who specialises in the simulation of biomolecules. She is a Professor of Computational Biophysics at the Free University of Berlin. She was previously a Professor of Chemistry at the Rice University and co-director of the National Science Foundation Molecular Sciences Software Institute. From 2017 to 2019 she held an Einstein Foundation fellowship. Source: Wikipedia (en)

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Articles 66

Date

Title

Authors

2022-11-19

Deep learning to decompose macromolecules into independent Markovian domains

Tim Hempel, Cecilia Clementi, Frank Noé
2021-03-17

TorchMD: A Deep Learning Framework for Molecular Simulations

Stefan Doerr, Maciej Majewski, Andreas Krämer, Cecilia Clementi, Toni Giorgino, Gianni de Fabritiis
2020-02-24

Machine Learning for Molecular Simulation

Cecilia Clementi, Klaus-Robert Müller
2020-07-22

Large-Scale Structure-Based Prediction of Stable Peptide Binding to Class I HLAs Using Random Forests

Lydia E. Kavraki, Cecilia Clementi, Jayvee R Abella
2020-11-10

Extensible and Scalable Adaptive Sampling on Supercomputers

Cecilia Clementi
2020-11-12

Markov state modeling reveals alternative unbinding pathways for peptide-MHC complexes

Jayvee R Abella, Dinler A Antunes, Kyle R Jackson, Cecilia Clementi, Lydia E. Kavraki
2020-11-01

Coarse graining molecular dynamics with graph neural networks

Brooke Husic, Nicholas E Charron, Dominik Lemm, Jiang Wang, Maciej Majewski, Andreas Krämer, Yaoyi Chen, Frank Noé, Cecilia Clementi
2019-03-02

APE-Gen: A Fast Method for Generating Ensembles of Bound Peptide-MHC Conformations

Jayvee R Abella, Dinler A Antunes, Cecilia Clementi, Lydia E. Kavraki
2019-04-15

Machine Learning of Coarse-Grained Molecular Dynamics Force Fields

Simon Olsson, Gianni de Fabritiis, Cecilia Clementi
2019-11-27

Nanoscale coupling of endocytic pit growth and stability

Martin Lehmann, Ilya Lukonin, Frank Noé, Cecilia Clementi, Dinah Loerke, Luís Barata
2019-05-16

Localizing Frustration in Proteins Using All-Atom Energy Functions

Peter Guy Wolynes, Cecilia Clementi, Nicholas P. Schafer
2019-12-24

Machine learning for protein folding and dynamics

Cecilia Clementi
2019-07-01

Coarse-graining molecular systems by spectral matching

Feliks Nüske, Cecilia Clementi, Lorenzo Boninsegna
2018-04-16

Rapid Calculation of Molecular Kinetics Using Compressed Sensing.

Cecilia Clementi, Feliks Nüske, Lorenzo Boninsegna
2018-10-16

The Effect of Electrostatic Interactions on the Folding Kinetics of a 3-α-Helical Bundle Protein Family

Cecilia Clementi
2018-06-13

Learning Effective Molecular Models from Experimental Observables

Jiming Chen, Cecilia Clementi
2018-06-01

Sparse learning of stochastic dynamical equations

Feliks Nüske, Cecilia Clementi, Lorenzo Boninsegna
2018-12-01

Quantitative comparison of adaptive sampling methods for protein dynamics

Eugen Hruska, Feliks Nüske, Lydia E. Kavraki, Cecilia Clementi, Jayvee R Abella
2018-08-27

Size and topology modulate the effects of frustration in protein folding

Alexander J Kluber, Timothy A Burt, Cecilia Clementi
2018-11-01

Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

Anna Krylov, Jessica A Nash, Daniel G A Smith, Doaa Altarawy, Cecilia Clementi, T. Daniel Crawford, Teresa Head-Gordon, Theresa L. Windus, Robert J. Harrison, Vijay Pande
2017-07-17

Combining experimental and simulation data of molecular processes via augmented Markov models

Simon Olsson, Cecilia Clementi
2017-03-16

Collective variables for the study of long-time kinetics from molecular trajectories: theory and methods

Cecilia Clementi
2017-12-05

A Data-Driven Perspective on the Hierarchical Assembly of Molecular Structures

Cecilia Clementi, Lorenzo Boninsegna
2017-05-09

Path integral-GC-AdResS simulation of a large hydrophobic solute in water: a tool to investigate the interplay between local microscopic structures and quantum delocalization of atoms in space

Luigi Delle Site, Cecilia Clementi
2017-10-01

Preface: Special Topic on Reaction Pathways.

Graeme Henkelman, Cecilia Clementi
2016-10-03

Commute Maps: Separating Slowly Mixing Molecular Configurations for Kinetic Modeling

Cecilia Clementi
2015-01-01

A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks

Diego Prada-Gracia, Cecilia Clementi, Markus Meuwly
2015-01-20

Jagged-Delta asymmetry in Notch signaling can give rise to a Sender/Receiver hybrid phenotype

Marcelo Boareto, Mohit Kumar Jolly, Cecilia Clementi
2015-11-18

Investigating Molecular Kinetics by Variationally Optimized Diffusion Maps

Gianpaolo Gobbo, Cecilia Clementi, Lorenzo Boninsegna
2015-09-11

Kinetic distance and kinetic maps from molecular dynamics simulation.

Cecilia Clementi
2014-10-30

Multiscale approach to the determination of the photoactive yellow protein signaling state ensemble

Cecilia Clementi
2014-09-01

Fast recovery of free energy landscapes via diffusion-map-directed molecular dynamics.

Cecilia Clementi

Human - wd:Q47328383

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