EDITORIAL
Published on 29 Aug 2019
Editorial: Machine Learning in Biomolecular Simulations
doi 10.3389/fmolb.2019.00076
- 2,784 views
- 4 citations
- Frontiers in Molecular Biosciences
- Biological Modeling and Simulation
- Research Topics
- Machine Learning in Biomolecular Simulations
Machine Learning in Biomolecular Simulations
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Articles
ORIGINAL RESEARCH
Published on 13 Aug 2019
Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins
doi 10.3389/fmolb.2019.00064
- 4,210 views
- 27 citations
ORIGINAL RESEARCH
Published on 09 Jul 2019
Machine Learning Classification Model for Functional Binding Modes of TEM-1 β-Lactamase
doi 10.3389/fmolb.2019.00047
- 3,781 views
- 20 citations
ORIGINAL RESEARCH
Published on 19 Jun 2019
Using Dimensionality Reduction to Analyze Protein Trajectories
doi 10.3389/fmolb.2019.00046
- 11,320 views
- 65 citations
ORIGINAL RESEARCH
Published on 12 Jun 2019
Comparative Exploratory Analysis of Intrinsically Disordered Protein Dynamics Using Machine Learning and Network Analytic Methods
doi 10.3389/fmolb.2019.00042
- 4,776 views
- 29 citations
ORIGINAL RESEARCH
Published on 11 Jun 2019
Integration of Random Forest Classifiers and Deep Convolutional Neural Networks for Classification and Biomolecular Modeling of Cancer Driver Mutations
doi 10.3389/fmolb.2019.00044
- 15,681 views
- 45 citations
ORIGINAL RESEARCH
Published on 24 May 2019
Machine Learning Analysis of τRAMD Trajectories to Decipher Molecular Determinants of Drug-Target Residence Times
doi 10.3389/fmolb.2019.00036
- 7,262 views
- 47 citations
ORIGINAL RESEARCH
Published on 18 Apr 2019
Anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations
doi 10.3389/fmolb.2019.00025
- 7,952 views
- 28 citations
ORIGINAL RESEARCH
Published on 18 Apr 2019
Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank
doi 10.3389/fmolb.2019.00024
- 2,858 views
- 10 citations
