Editorial: Molecular Dynamics and Machine Learning in Drug Discovery

Sergio Decherchi; Francesca Grisoni; Pratyush Tiwary; Andrea Cavalli

doi:10.3389/fmolb.2021.673773

Editorial: Molecular Dynamics and Machine Learning in Drug Discovery

Sergio Decherchi (Corresponding author), Francesca Grisoni, Pratyush Tiwary, Andrea Cavalli

Research output: Contribution to journal › Editorial › Academic › peer-review

Original language	English
Article number	673773
Number of pages	2
Journal	Frontiers in Molecular Biosciences
Volume	8
DOIs	https://doi.org/10.3389/fmolb.2021.673773
Publication status	Published - 13 Apr 2021

Bibliographical note

Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.

Keywords

computational chemistry (molecular design)
drug discovery
machine learning
molecular dynamics
physics-based models

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10.3389/fmolb.2021.673773

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title = "Editorial: Molecular Dynamics and Machine Learning in Drug Discovery",

keywords = "computational chemistry (molecular design), drug discovery, machine learning, molecular dynamics, physics-based models",

author = "Sergio Decherchi and Francesca Grisoni and Pratyush Tiwary and Andrea Cavalli",

year = "2021",

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language = "English",

volume = "8",

journal = "Frontiers in Molecular Biosciences",

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AU - Decherchi, Sergio

AU - Grisoni, Francesca

AU - Tiwary, Pratyush

AU - Cavalli, Andrea

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Y1 - 2021/4/13

KW - computational chemistry (molecular design)

KW - drug discovery

KW - machine learning

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KW - physics-based models

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SN - 2296-889X

VL - 8

JO - Frontiers in Molecular Biosciences

JF - Frontiers in Molecular Biosciences

M1 - 673773

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Editorial: Molecular Dynamics and Machine Learning in Drug Discovery

Bibliographical note

Keywords

Access to Document

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