Frank Noé (F Noé)

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 55

Top Topics

Binding Protein

Top Venues

The Journal of chemical physics

Nature communications

The Journal of cell biology

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Patrick Bryant, Frank Noé
Structure prediction of alternative protein conformations. Nature communications 15 (1) (2024)
Patrick Bryant, Atharva Kelkar, Andrea Guljas, Cecilia Clementi, Frank Noé
Structure prediction of protein-ligand complexes from sequence information with Umol. Nature communications 15 (1) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Patrick Bryant, Frank Noé
Structure prediction of alternative protein conformations. Nature communications 15 (1) (2024)
Patrick Bryant, Atharva Kelkar, Andrea Guljas, Cecilia Clementi, Frank Noé
Structure prediction of protein-ligand complexes from sequence information with Umol. Nature communications 15 (1) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Patrick Bryant, Atharva Kelkar, Andrea Guljas, Cecilia Clementi, Frank Noé
Structure prediction of protein-ligand complexes from sequence information with Umol. Nature communications 15 (1) (2024)
Patrick Bryant, Atharva Kelkar, Andrea Guljas, Cecilia Clementi, Frank Noé
Structure prediction of protein-ligand complexes from sequence information with Umol. Nature communications 15 (1) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
Jakob Rentsch, Selle Bandstra, Batuhan Sezen, Philipp Sigrist, Francesca Bottanelli, Bettina Schmerl, Sarah A Shoichet, Frank Noé, Mohsen Sadeghi, Helge Ewers
Sub-membrane actin rings compartmentalize the plasma membrane. The Journal of cell biology 223 (4) (2024)
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. Nature communications 14 (1) (2023)
Jan Hermann, James Spencer, Kenny Choo, Antonio Mezzacapo, W Matthew C Foulkes, David Pfau, Giuseppe Carleo, Frank Noé
Ab initio quantum chemistry with neural-network wavefunctions. Nature reviews. Chemistry (2023)
Esam T Abualrous, Sebastian Stolzenberg, Jana Sticht, Marek Wieczorek, Yvette Roske, Matthias Günther, Steffen Dähn, Benedikt B Boesen, Marcos Martínez Calvo, Charlotte Biese, Frank Kuppler, Álvaro Medina-García, Miguel Álvaro-Benito, Thomas Höfer, Frank Noé, Christian Freund
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange. Nature chemical biology (2023)
Kalyan S Chakrabarti, Simon Olsson, Supriya Pratihar, Karin Giller, Kerstin Overkamp, Ko On Lee, Vytautas Gapsys, Kyoung-Seok Ryu, Bert L de Groot, Frank Noé, Stefan Becker, Donghan Lee, Thomas R Weikl, Christian Griesinger
A litmus test for classifying recognition mechanisms of transiently binding proteins. Nature communications 13 (1) (2022)
Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Özge Kadioglu, Charithea Charalambous, Andres Ortega-Guerrero, Amir H Farmahini, Lev Sarkisov, Susana Garcia, Frank Noé, Berend Smit
A data-science approach to predict the heat capacity of nanoporous materials. Nature materials 21 (12) (2022)
Andreas Mardt, Tim Hempel, Cecilia Clementi, Frank Noé
Deep learning to decompose macromolecules into independent Markovian domains. Nature communications 13 (1) (2022)
Mauricio J Del Razo, Manuel Dibak, Christof Schütte, Frank Noé
Multiscale molecular kinetics by coupling Markov state models and reaction-diffusion dynamics. The Journal of chemical physics 155 (12) (2022)
Jiang Wang, Stefan Chmiela, Klaus-Robert Müller, Frank Noé, Cecilia Clementi
Ensemble learning of coarse-grained molecular dynamics force fields with a kernel approach. The Journal of chemical physics 152 (19) (2021)
Andreas Mardt, Frank Noé
Progress in deep Markov state modeling: Coarse graining and experimental data restraints. The Journal of chemical physics 155 (21) (2021)
Mohsen Sadeghi, Frank Noé
Hydrodynamic coupling for particle-based solvent-free membrane models. The Journal of chemical physics 155 (11) (2021)
Jiang Wang, Nicholas E Charron, Brooke E Husic, Simon Olsson, Frank Noé, Cecilia Clementi
Multi-body effects in a coarse-grained protein force field. The Journal of chemical physics 154 (16) (2021)
Yaoyi Chen, Andreas Krämer, Nicholas E Charron, Brooke E Husic, Cecilia Clementi, Frank Noé
Machine learning implicit solvation for molecular dynamics. The Journal of chemical physics 155 (8) (2021)
Tim Hempel, Katarina Elez, Nadine Krüger, Lluís Raich, Jonathan H Shrimp, Olga Danov, Danny Jonigk, Armin Braun, Min Shen, Matthew D Hall, Stefan Pöhlmann, Markus Hoffmann, Frank Noé
Synergistic inhibition of SARS-CoV-2 cell entry by otamixaban and covalent protease inhibitors: pre-clinical assessment of pharmacological and molecular properties. Chemical science 12 (38) (2021)
Stefan Klus, Brooke E Husic, Mattes Mollenhauer, Frank Noé
Kernel methods for detecting coherent structures in dynamical data. Chaos (Woodbury, N.Y.) 29 (12) (2020)
Frank Noé, Edina Rosta
Markov Models of Molecular Kinetics. The Journal of chemical physics 151 (19) (2020)
Tim Hempel, Lluís Raich, Simon Olsson, Nurit P Azouz, Andrea M Klingler, Markus Hoffmann, Stefan H Pöhlmann, Xiaoting Chen, Frank Noé
Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat. Chemical science 12 (3) (2020)
Brooke E Husic, Nicholas E Charron, Dominik Lemm, Jiang Wang, Adrià Pérez, Maciej Majewski, Andreas Krämer, Yaoyi Chen, Simon Olsson, Gianni de Fabritiis, Frank Noé, Cecilia Clementi
Coarse graining molecular dynamics with graph neural networks. The Journal of chemical physics 153 (19) (2020)
Mohsen Sadeghi, Frank Noé
Large-scale simulation of biomembranes incorporating realistic kinetics into coarse-grained models. Nature communications 11 (1) (2020)
Tuan Le, Robin Winter, Frank Noé, Djork-Arné Clevert
Neuraldecipher - reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures. Chemical science 11 (38) (2020)
Jan Hermann, Zeno Schätzle, Frank Noé
Deep-neural-network solution of the electronic Schrödinger equation. Nature chemistry 12 (10) (2020)
Frank Noé, Simon Olsson, Jonas Köhler, Hao Wu
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning. Science (New York, N.Y.) 365 (6457) (2019)
Moritz Hoffmann, Christoph Fröhner, Frank Noé
ReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamics. PLoS computational biology 15 (2) (2019)
Martin Lehmann, Ilya Lukonin, Frank Noé, Jan Schmoranzer, Cecilia Clementi, Dinah Loerke, Volker Haucke
Nanoscale coupling of endocytic pit growth and stability. Science advances 5 (11) (2019)
Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé, Djork-Arné Clevert
Efficient multi-objective molecular optimization in a continuous latent space. Chemical science 10 (34) (2019)
Manuel Dibak, Christoph Fröhner, Frank Noé, Felix Höfling
Diffusion-influenced reaction rates in the presence of pair interactions. The Journal of chemical physics 151 (16) (2019)
Moritz Hoffmann, Christoph Fröhner, Frank Noé
Reactive SINDy: Discovering governing reactions from concentration data. The Journal of chemical physics 150 (2) (2019)
R Schulz, Y von Hansen, J O Daldrop, Julian Kappler, Frank Noé, Roland Rüdiger Netz
Collective hydrogen-bond rearrangement dynamics in liquid water. The Journal of chemical physics 149 (24) (2019)
Andreas Mardt, Luca Pasquali, Hao Wu, Frank Noé
VAMPnets for deep learning of molecular kinetics. Nature communications 9 (1) (2018)
Mauricio J Del Razo, Hong Qian, Frank Noé
Grand canonical diffusion-influenced reactions: A stochastic theory with applications to multiscale reaction-diffusion simulations. The Journal of chemical physics 149 (4) (2018)
Christoph Wehmeyer, Frank Noé
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics. The Journal of chemical physics 148 (24) (2018)
Luigi Sbailò, Frank Noé
An efficient multi-scale Green's function reaction dynamics scheme. The Journal of chemical physics 147 (18) (2018)
Susanne Gerber, Simon Olsson, Frank Noé, Illia Horenko
A scalable approach to the computation of invariant measures for high-dimensional Markovian systems. Scientific reports 8 (1) (2018)
Manuel Dibak, Mauricio J Del Razo, David De Sancho, Christof Schütte, Frank Noé
MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations. The Journal of chemical physics 148 (21) (2018)
Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chemical science 10 (6) (2018)
Andreas Mardt, Luca Pasquali, Hao Wu, Frank Noé
Author Correction: VAMPnets for deep learning of molecular kinetics. Nature communications 9 (1) (2018)
Hao Wu, Feliks Nüske, Fabian Paul, Stefan Klus, Péter Koltai, Frank Noé
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations. The Journal of chemical physics 146 (15) (2018)
Eleni Dimou, Katia Cosentino, Evgenia Platonova, Uris Ros, Mohsen Sadeghi, Purba Kashyap, Taxiarchis Katsinelos, Sabine Wegehingel, Frank Noé, Ana J Garcia-Saez, Helge Ewers, Walter Nickel
Single event visualization of unconventional secretion of FGF2. The Journal of cell biology 218 (2) (2018)
Mohsen Sadeghi, Thomas R Weikl, Frank Noé
Particle-based membrane model for mesoscopic simulation of cellular dynamics. The Journal of chemical physics 148 (4) (2018)
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, Hao Wu, Michael D Crabtree, Johannes Schöneberg, Jane Clarke, Christian Freund, Thomas R Weikl, Frank Noé
Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations. Nature communications 9 (1) (2018)
Nuria Plattner, Stefan Doerr, Gianni De Fabritiis, Frank Noé
Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling. Nature chemistry 9 (10) (2017)
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, Hao Wu, Michael D Crabtree, Johannes Schöneberg, Jane Clarke, Christian Freund, Thomas R Weikl, Frank Noé
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations. Nature communications 8 (1) (2017)
David Albrecht, Christian M Winterflood, Mohsen Sadeghi, Thomas Tschager, Frank Noé, Helge Ewers
Nanoscopic compartmentalization of membrane protein motion at the axon initial segment. The Journal of cell biology 215 (1) (2016)