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

Access to Document

10.3389/fmolb.2021.673773

Cite this

@article{82b08573b0984323abcb75aaae8815a4,

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",

month = apr,

day = "13",

doi = "10.3389/fmolb.2021.673773",

language = "English",

volume = "8",

journal = "Frontiers in Molecular Biosciences",

issn = "2296-889X",

publisher = "Frontiers Media S.A.",

}

TY - JOUR

T1 - Editorial

T2 - Molecular Dynamics and Machine Learning in Drug Discovery

AU - Decherchi, Sergio

AU - Grisoni, Francesca

AU - Tiwary, Pratyush

AU - Cavalli, Andrea

PY - 2021/4/13

Y1 - 2021/4/13

KW - computational chemistry (molecular design)

KW - drug discovery

KW - machine learning

KW - molecular dynamics

KW - physics-based models

UR - https://www.scopus.com/pages/publications/85104989182

U2 - 10.3389/fmolb.2021.673773

DO - 10.3389/fmolb.2021.673773

M3 - Editorial

C2 - 33928128

AN - SCOPUS:85104989182

SN - 2296-889X

VL - 8

JO - Frontiers in Molecular Biosciences

JF - Frontiers in Molecular Biosciences

M1 - 673773

ER -

Editorial: Molecular Dynamics and Machine Learning in Drug Discovery

Bibliographical note

Keywords

Access to Document

Other files and links

Cite this