Frank Noé
2006–2026 年に発表
- 183
- 論文数
- 25,210
- 被引用数
- 75
- h 指数
- 149
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology39.2%
- Computer Science19.3%
- Materials Science11.4%
- Medicine9.8%
- Physics and Astronomy8.1%
- Engineering3%
- その他9.2%
トピック
- Protein Structure and Dynamics11%
- Computational Drug Discovery Methods8%
- Machine Learning in Materials Science7%
- Enzyme Structure and Function2.2%
- Model Reduction and Neural Networks2.1%
- RNA and protein synthesis mechanisms1.9%
- その他67.8%
共著者
- Cecilia Clementi28
- Hao Wu26
- Simon Olsson14
- Djork-Arné Clevert13
- Tim Hempel13
- Jonas Köhler11
- Christof Schütte10
- Tuan Le10
- Yaoyi Chen10
- Andreas Krämer9
- Brooke E. Husic9
- Fabian Paul9
- Lluı́s Raich9
- Robin Winter9
- Gianni De Fabritiis8
- Jeremy C. Smith8
- Leon Klein8
- Nicholas E. Charron8
- Jan-Hendrik Prinz7
- Johannes Schöneberg7
- Feliks Nüske6
- Moritz Hoffmann6
- Zeno Schätzle6
- Andreas Mardt5
全論文
- PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
著者: Martin K. Scherer, Benjamin Trendelkamp-Schroer, Fabian Paul, Guillermo Pérez‐Hernández, Moritz Hoffmann, Nuria Plattner, Christoph Wehmeyer, Jan-Hendrik Prinz, Frank Noé - Journal of Chemical Theory and Computation 2015 被引用: 1,299
- Machine learning for molecular simulation
著者: Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi - Annual Review of Physical Chemistry 2020 被引用: 888
- Identification of slow molecular order parameters for Markov model construction
著者: Guillermo Pérez-Hernández, Fabian Paul, Toni Giorgino, Gianni De Fabritiis, Frank Noé - The Journal of Chemical Physics 2013 被引用: 1,049
- Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation
著者: Marek Wieczorek, Esam T. Abualrous, Jana Sticht, Miguel Álvaro‐Benito, Sebastian Stolzenberg, Frank Noé, Christian Freund - Frontiers in Immunology 2017 被引用: 1,011
- Fast protein backbone generation with SE(3) flow matching
著者: Jason Yim, Andrew M. Campbell, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Víctor García Satorras, Bastiaan S. Veeling, Regina Barzilay, Tommi Jaakkola, Frank Noé - arXiv (Cornell University) 2023 被引用: 103
- Markov models of molecular kinetics: Generation and validation
著者: Jan-Hendrik Prinz, Hao Wu, Marco Sarich, Bettina G. Keller, Martin Senne, Martin Held, John D. Chodera, Christof Schütte, Frank Noé - The Journal of Chemical Physics 2011 被引用: 1,347
- Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations
著者: Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert - Chemical Science 2018 被引用: 517
- VAMPnets for deep learning of molecular kinetics
著者: Andreas Mardt, Luca Pasquali, Hao Wu, Frank Noé - Nature Communications 2017 被引用: 527
- Unsupervised Learning Methods for Molecular Simulation Data
著者: Aldo Glielmo, Brooke E. Husic, Álex Rodríguez, Cecilia Clementi, Frank Noé, Alessandro Laio - Chemical Reviews 2021 被引用: 407
- Deep neural network solution of the electronic Schrödinger equation
著者: Jan Hermann, Zeno Schätzle, Frank Noé - Nature Chemistry 2020 被引用: 471
- Predicting equilibrium distributions for molecular systems with deep learning
著者: Shuxin Zheng, Jiyan He, Chang Liu, Yu Shi, Ziheng Lu, Weitao Feng, Fusong Ju, Jiaxi Wang, Jianwei Zhu, Yaosen Min, He Zhang, Shidi Tang, Hongxia Hao, Peiran Jin, Chi Chen, Frank Noé, Haiguang Liu, Tie-Yan Liu - Nature Machine Intelligence, Nat. Mac. Intell. 2024 被引用: 127
- Machine Learning of coarse-grained Molecular Dynamics Force Fields
著者: Jiang Wang, Simon Olsson, Christoph Wehmeyer, Adrià Pérez, Nicholas E. Charron, Gianni De Fabritiis, Frank Noé, Cecilia Clementi - ACS Central Science 2019 被引用: 525
- HTMD: High-Throughput Molecular Dynamics for Molecular Discovery
著者: Stefan Doerr, M J Harvey, Frank Noé, Gianni De Fabritiis - Journal of Chemical Theory and Computation 2016 被引用: 491
- Markov state models of biomolecular conformational dynamics
著者: John D. Chodera, Frank Noé - Current Opinion in Structural Biology 2014 被引用: 836
- Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
著者: Christoph Wehmeyer, Frank Noé - The Journal of Chemical Physics 2018 被引用: 412
- Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space
著者: Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé, Djork-Arné Clevert - Chemical Science 2019 被引用: 279
- Scalable emulation of protein equilibrium ensembles with generative deep learning
著者: Sarah Lewis, Tim Hempel, José Jiménez-Luna, Michael Gastegger, Yu Xie, Andrew Y. K. Foong, Víctor García Satorras, Osama Abdin, Bastiaan S. Veeling, Iryna Zaporozhets, Yaoyi Chen, Soojung Yang, Adam Foster, Arne Schneuing, Jigyasa Nigam, Federico Barbero, Vincent Stimper, Andrew M. Campbell, Jason Yim, Marten Lienen, Yu Shi, Shuxin Zheng, Hannes Schulz, Usman Munir, Roberto Sordillo, Ryota Tomioka, Cecilia Clementi, Frank Noé - Science 2025 被引用: 221
- Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2-related proteases and its metabolite GBPA exerts antiviral activity
著者: Markus Hoffmann, Heike Hofmann-Winkler, Joan C. Smith, Nadine Krüger, Prerna Arora, Lambert K. Sørensen, Ole S. Søgaard, Jørgen Bo Hasselstrøm, Michael Winkler, Tim Hempel, Lluı́s Raich, Simon Olsson, Olga Danov, Danny Jonigk, Takashi Yamazoe, Katsura Yamatsuta, Hirotaka Mizuno, Stephan Ludwig, Frank Noé, Mads Kjølby, Armin Braun, Jason M. Sheltzer, Stefan Pöhlmann - EBioMedicine 2021 被引用: 398
- Structure prediction of alternative protein conformations
著者: Patrick Bryant, Frank Noé - Nature Communications 2024 被引用: 94
- Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning
著者: Shuxin Zheng, Jiyan He, Chang Liu, Yu Shi, Ziheng Lu, Weitao Feng, Fusong Ju, Jiaxi Wang, Jianwei Zhu, Yaosen Min, He Zhang, Shidi Tang, Hongxia Hao, Peiran Jin, Chi Chen, Frank Noé, Haiguang Liu, Tie-Yan Liu - arXiv (Cornell University), CoRR 2023 被引用: 44
- Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
著者: Frank Noé, Christof Schütte, Eric Vanden‐Eijnden, Lothar Reich, Thomas R. Weikl - National Academy of Sciences, Proceedings of the National Academy of Sciences 2009 被引用: 851
- Data-Driven Model Reduction and Transfer Operator Approximation
著者: Stefan Klus, Feliks Nüske, Péter Koltai, Hao Wu, Ioannis G. Kevrekidis, Christof Schütte, Frank Noé - Journal of Nonlinear Science, J. Nonlinear Sci. 2018 被引用: 259
- Scalable emulation of protein equilibrium ensembles with generative deep learning
著者: Sarah Lewis, Tim Hempel, José Jiménez-Luna, Michael Gastegger, Yu Xie, Andrew Y. K. Foong, Víctor García Satorras, Osama Abdin, Bastiaan S. Veeling, Iryna Zaporozhets, Yaoyi Chen, Soojung Yang, Arne Schneuing, Jigyasa Nigam, Federico Barbero, Vincent Stimper, Andrew M. Campbell, Jason Yim, Marten Lienen, Yu Shi, Shuxin Zheng, Hannes Schulz, Usman Munir, Ryota Tomioka, Cecilia Clementi, Frank Noé - 2024 被引用: 60
- Equivariant Flows: sampling configurations for multi-body systems with symmetric energies
著者: Jonas Köhler, Leon Klein, Frank Noé - arXiv (Cornell University), CoRR 2019 被引用: 71
