Cecilia Clementi

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Noe FrankMicrosoft ResearchPatvirtintas el. paštas microsoft.com
Jose OnuchicCTBP Rice UniversityPatvirtintas el. paštas rice.edu
Lydia E. KavrakiRice UniversityPatvirtintas el. paštas rice.edu
Wenwei ZhengAssociate Professor, Arizona State UniversityPatvirtintas el. paštas asu.edu
Feliks NüskeMax Planck Institute for Dynamics of Complex Technical Systems, MagdeburgPatvirtintas el. paštas mpi-magdeburg.mpg.de
Mary Anne RohrdanzResearch Scientist, Rice UniversityPatvirtintas el. paštas rice.edu
Gianni De FabritiisComputational Science Laboratory, Icrea Research Professor, AcelleraPatvirtintas el. paštas upf.edu
Silvina MatysiakAssociate Professor- University of MarylandPatvirtintas el. paštas umd.edu
Simon OlssonChalmers University of TechnologyPatvirtintas el. paštas chalmers.se
Marco PettiniFull professor of theoretical physics, Emeritus, Aix-Marseille University, FrancePatvirtintas el. paštas cpt.univ-mrs.fr
Lorenzo BoninsegnaPostdoctoral Fellow, University of California Los AngelesPatvirtintas el. paštas g.ucla.edu
Peter G. WolynesBullard-Welch Foundation Professor of Science, Professor of Chemistry, Professor of PhysicsPatvirtintas el. paštas rice.edu
Amarda ShehuProfessor of Computer Science, George Mason UniversityPatvirtintas el. paštas gmu.edu
Lapo CasettiDipartimento di Fisica e Astronomia, Università di FirenzePatvirtintas el. paštas unifi.it
Mauro MaggioniBloomberg Distinguished Professor of Mathematics, and Applied Mathematics and StatisticsPatvirtintas el. paštas jhu.edu
Amos MaritanDipartimento di Fisica, Universita' di PadovaPatvirtintas el. paštas pd.infn.it
Luigi Delle SiteInstitute for Mathematics, Department of Mathematics and Computer Science, Freie Universität BerlinPatvirtintas el. paštas fu-berlin.de
Eshel Ben-JacobProfessor of Physics, Tel Aviv universityPatvirtintas el. paštas rice.edu
Patricia A. JenningsProfessor of Chemistry and Biochemistry, UCSDPatvirtintas el. paštas ucsd.edu
Garegin PapoianMonroe Martin Professor, University of Maryland College ParkPatvirtintas el. paštas umd.edu

Stebėti

Cecilia Clementi

Professor of Physics, Freie Universität Berlin

Patvirtintas el. paštas fu-berlin.de

Biophysics


Pavadinimas Rūšiuoti pagal šaltinius Rūšiuoti pagal metus Rūšiuoti pagal pavadinimą	Cituota Cituota	Metai
Topological and energetic factors: what determines the structural details of the transition state ensemble and “en-route” intermediates for protein folding? An investigation … C Clementi, H Nymeyer, JN Onuchic Journal of molecular biology 298 (5), 937-953, 2000	1410	2000
Machine learning for molecular simulation F Noé, A Tkatchenko, KR Müller, C Clementi Annual review of physical chemistry 71 (1), 361-390, 2020	837	2020
Machine learning of coarse-grained molecular dynamics force fields J Wang, S Olsson, C Wehmeyer, A Pérez, NE Charron, G de Fabritiis, ... ACS Central Science, 2019	497	2019
Coarse-grained models of protein folding: toy models or predictive tools? C Clementi Current opinion in structural biology 18 (1), 10-15, 2008	406	2008
Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction P Das, M Moll, H Stamati, LE Kavraki, C Clementi Proceedings of the National Academy of Sciences 103 (26), 9885-9890, 2006	378	2006
AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing A Davtyan, NP Schafer, W Zheng, C Clementi, PG Wolynes, GA Papoian The Journal of Physical Chemistry B 116 (29), 8494-8503, 2012	339	2012
Determination of reaction coordinates via locally scaled diffusion map MA Rohrdanz, W Zheng, M Maggioni, C Clementi The Journal of chemical physics 134 (12), 2011	329	2011
Unsupervised learning methods for molecular simulation data A Glielmo, BE Husic, A Rodriguez, C Clementi, F Noé, A Laio Chemical Reviews 121 (16), 9722-9758, 2021	318	2021
Sparse learning of stochastic dynamic equations L Boninsegna, F Nüske, C Clementi J. Chem. Phys. 148, 241723, 2018	280	2018
Quantifying the roughness on the free energy landscape: entropic bottlenecks and protein folding rates LL Chavez, JN Onuchic, C Clementi Journal of the American Chemical Society 126 (27), 8426-8432, 2004	274	2004
Data-driven approximation of the Koopman generator: Model reduction, system identification, and control S Klus, F Nüske, S Peitz, JH Niemann, C Clementi, C Schütte Physica D: Nonlinear Phenomena 406, 132416, 2020	272	2020
How native-state topology affects the folding of dihydrofolate reductase and interleukin-1β C Clementi, PA Jennings, JN Onuchic Proceedings of the National Academy of Sciences 97 (11), 5871-5876, 2000	249	2000
Discovering mountain passes via torchlight: methods for the definition of reaction coordinates and pathways in complex macromolecular reactions MA Rohrdanz, W Zheng, C Clementi Annual review of physical chemistry 64 (1), 295-316, 2013	240	2013
Kinetic distance and kinetic maps from molecular dynamics simulation F Noé, C Clementi Journal of Chemical Theory and Computation 11 (10), 5002–5011, 2015	234	2015
Interplay among tertiary contacts, secondary structure formation and side-chain packing in the protein folding mechanism: all-atom representation study of protein L C Clementi, AE Garcıa, JN Onuchic Journal of molecular biology 326 (3), 933-954, 2003	214	2003
TorchMD: A deep learning framework for molecular simulations S Doerr, M Majewsk, A Pérez, A Krämer, C Clementi, F Noe, T Giorgino, ... J. Chem. Theory Comput. 17 (4), 2355–2363, 2021	202	2021
The effects of nonnative interactions on protein folding rates: Theory and simulation C Clementi, SS Plotkin Protein science 13 (7), 1750-1766, 2004	196	2004
Riemannian theory of Hamiltonian chaos and Lyapunov exponents L Casetti, C Clementi, M Pettini Physical Review E 54 (6), 5969, 1996	195	1996
Machine learning for protein folding and dynamics F Noé, G De Fabritiis, C Clementi Current opinion in structural biology 60, 77-84, 2020	184	2020
Coarse graining molecular dynamics with graph neural networks BE Husic, NE Charron, D Lemm, J Wang, A Pérez, M Majewski, A Krämer, ... The Journal of chemical physics 153 (19), 2020	180	2020

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