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Mohammad Rizki Fadhil Pratama
Universitas Muhammadiyah Palangkaraya
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Dentistry Economics, Econometrics & Finance Education Engineering Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Public Health Social Sciences

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Journal : Indonesian Journal of Biotechnology

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Introducing a two‐dimensional graph of docking score difference vs. similarity of ligand‐receptor interactions Mohammad Rizki Fadhil Pratama; Hadi Poerwono; Siswandono Siswodihardjo
Indonesian Journal of Biotechnology Vol 26, No 1 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijbiotech.62194

Abstract

Observation of molecular docking results was generally performed by analyzing the docking score and the interacting amino acid residues separately either in tables or graphs. Sometimes it was not easy to rank the tested ligands’ docking results, especially if there were many ligands. This study aims to introduce a new way to analyze docking results with a two‐dimensional graph between the difference in docking score and the similarity of ligand‐receptor interactions. Molecular docking was performed with one reference ligand and several test ligands. The docking score difference was obtained between the test and the reference ligands as the graph’s x‐axis. Meanwhile, the y‐axis contains the similarity of ligand‐receptor interactions, obtained from the ratio of amino acid residues and the types of interactions between the test and reference ligands. Docking result analysis was more straightforward because two critical parameters were presented in one graph. This graph could be used to support the analysis of the docking results.
Co-Authors Ardina, Rinny Caroline Caroline Chusna, Nurul Daryono Hadi Tjahjono Dewi Melani Hariyadi Dewi Sari Mulia Dwi Purbayanti Eko Suhartono Endang Sri Suyati Evi Mulyani Evi Mulyani Guntur Satrio Pratomo Hadi Poerwono Handayani, Rosita Iin Nurbudiyani Imamatin Nufus Melania Juni Ekowati Maria Anabella Jessica Martha Ervina Melanny Ika Sulistyowaty Muhamad Ilham Royyan Nafi’ Muhamad Riza Syah Fahlevi Muhammad Ikhwan Rizki Praditapuspa, Ersanda Nurma Putri Hamidah Khairunnisa Rossa Auli Tasha Siswandono, Siswandono Sonedi Sonedi Suratno Suratno Suratno Suratno Suratno Suratno Susi Novaryatiin Syahrida Dian Ardhany TUTUS GUSDINAR Utar, Zulkhurnain Wahyu Pandaran Windya Nazmatur Rahmah Zulkhurnain Utar