Machine learning for protein folding and dynamics

Machine learning for protein folding and dynamics

22 November 2019

Frank Noé

Gianni De Fabritiis

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Papers citing "Machine learning for protein folding and dynamics"

15 / 15 papers shown

Title
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants Allan dos Santos Costa Ilan Mitnikov Franco Pellegrini Ameya Daigavane Mario Geiger Zhonglin Cao Karsten Kreis Tess E. Smidt E. Küçükbenli J. Jacobson 67 1 0 12 Oct 2024
Towards Learning Stochastic Population Models by Gradient Descent J. N. Kreikemeyer Philipp Andelfinger A. Uhrmacher 68 1 0 10 Apr 2024
Landscape-Sketch-Step: An AI/ML-Based Metaheuristic for Surrogate Optimization Problems Rafael Monteiro K. Sau 54 1 0 14 Sep 2023
A hybrid Decoder-DeepONet operator regression framework for unaligned observation data Bo Chen Chenyu Wang Weipeng Li Haiyang Fu 78 9 0 18 Aug 2023
Top-down machine learning of coarse-grained protein force-fields Carles Navarro Maciej Majewski Gianni De Fabritiis AI4CE 96 12 0 20 Jun 2023
DelBugV: Delta-Debugging Neural Network Verifiers R. Elsaleh Guy Katz 106 2 0 29 May 2023
Solving Maxwell's Equation in 2D with Neural Networks with Local Converging Inputs Harris Cobb Hwi Lee Yingjie Liu 32 5 0 06 Feb 2023
Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction Kaiyuan Yang Houjing Huang Olafs Vandans A. Murali Fujia Tian R. Yap Liang Dai 116 10 0 27 Nov 2022
Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning Sajjad Heydari S. Raniolo L. Livi V. Limongelli 54 2 0 06 May 2022
Optimal Binary Classification Beyond Accuracy Shashank Singh Justin Khim FaML 39 6 0 05 Jul 2021
BIGDML: Towards Exact Machine Learning Force Fields for Materials H. E. Sauceda Luis E Gálvez-González Stefan Chmiela L. O. Paz-Borbón K. Müller A. Tkatchenko AI4CE 62 48 0 08 Jun 2021
Artificial intelligence techniques for integrative structural biology of intrinsically disordered proteins A. Ramanathan Henglong Ma Akash Parvatikar C. Chennubhotla AI4CE 55 40 0 01 Dec 2020
Machine Learning Force Fields Oliver T. Unke Stefan Chmiela H. E. Sauceda M. Gastegger I. Poltavsky Kristof T. Schütt A. Tkatchenko K. Müller AI4CE 133 935 0 14 Oct 2020
Deep Learning in Protein Structural Modeling and Design Wenhao Gao S. Mahajan Jeremias Sulam Jeffrey J. Gray 84 161 0 16 Jul 2020
Ensemble Learning of Coarse-Grained Molecular Dynamics Force Fields with a Kernel Approach Jiang Wang Stefan Chmiela K. Müller Frank Noè C. Clementi 138 46 0 04 May 2020