Editorial: Advances in Molecular Docking and Structure-Based Modelling

Front Mol Biosci. 2022 Jan 27:9:839826. doi: 10.3389/fmolb.2022.839826. eCollection 2022.

Joseph Rebehmed¹, Alexandre G de Brevern², Ramanathan Sowdhamini^{3

4

5}, Agnel Praveen Joseph⁶

¹ Department of Computer Science and Mathematics, Lebanese American University, Beirut, Lebanon.
² Université de Paris and Université de la Réunion, INSERM UMR_S 1134, DSIMB, Paris, France.
³ National Centre for Biological Sciences (TIFR), Bangalore, India.
⁴ Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India.
⁵ Institute of Bioinformatics and Applied Biotechnology, Bengaluru, India.
⁶ Scientific Computing, Science and Technology Facilities Council, Research Complex, Rutherford Appleton Laboratory, Didcot, United Kingdom.

No abstract available

Keywords: docking; drug design; molecular dynamics simulation; structure modeling; structure-function relationship.

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