Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Hio Kuan Tai"'
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-12 (2021)
Abstract Target prediction is a crucial step in modern drug discovery. However, existing experimental approaches to target prediction are time-consuming and costly. Here, we introduce LigTMap, an online server with a fully automated workflow that can
Externí odkaz:
https://doaj.org/article/105a9349eed14f38a17500dafdfd90aa
Autor:
Jielu Yan, Pratiti Bhadra, Ang Li, Pooja Sethiya, Longguang Qin, Hio Kuan Tai, Koon Ho Wong, Shirley W.I. Siu
Publikováno v:
Molecular Therapy: Nucleic Acids, Vol 20, Iss , Pp 882-894 (2020)
Antimicrobial peptides (AMPs) are a valuable source of antimicrobial agents and a potential solution to the multi-drug resistance problem. In particular, short-length AMPs have been shown to have enhanced antimicrobial activities, higher stability, a
Externí odkaz:
https://doaj.org/article/0ff5c55c71b748bfbd1d9a85d487f6b9
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-13 (2018)
Abstract Background Protein-ligand docking programs are routinely used in structure-based drug design to find the optimal binding pose of a ligand in the protein’s active site. These programs are also used to identify potential drug candidates by r
Externí odkaz:
https://doaj.org/article/3b8b69e37dca4e9cb0214a6bc8f3f19d
Publikováno v:
Chemical Biology & Drug Design
Protein–ligand docking programs are indispensable tools for predicting the binding pose of a ligand to the receptor protein. In this paper, we introduce an efficient flexible docking method, gwovina, which is a variant of the Vina implementation us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::443ca0420e358cfbb42dab4b365a155d
https://doi.org/10.1111/cbdd.13764
https://doi.org/10.1111/cbdd.13764
Autor:
Shirley W. I. Siu, Hio Kuan Tai, Pratiti Bhadra, Koon Ho Wong, Jielu Yan, Pooja Sethiya, Ang Li, Longguang Qin
Publikováno v:
Molecular Therapy. Nucleic Acids
Molecular Therapy: Nucleic Acids, Vol 20, Iss, Pp 882-894 (2020)
Molecular Therapy: Nucleic Acids, Vol 20, Iss, Pp 882-894 (2020)
Antimicrobial peptides (AMPs) are a valuable source of antimicrobial agents and a potential solution to the multi-drug resistance problem. In particular, short-length AMPs have been shown to have enhanced antimicrobial activities, higher stability, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1291007a11ea4791fc73d4577c0c5558
http://europepmc.org/articles/PMC7256447
http://europepmc.org/articles/PMC7256447
Motivation: Target prediction is a crucial step in modern drug discovery. However, existing experimental approaches to target prediction are time-consuming and costly. Results: The LigTMap server provides a fully automated workflow to identify target
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c18dc8b12999a507edb6f8d23884b97
https://doi.org/10.26434/chemrxiv.12923474.v1
https://doi.org/10.26434/chemrxiv.12923474.v1
TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimers
Publikováno v:
Journal of Computer-Aided Molecular Design. 31:855-865
$$\alpha$$ -Helical transmembrane proteins are the most important drug targets in rational drug development. However, solving the experimental structures of these proteins remains difficult, therefore computational methods to accurately and efficient
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bbb778d1a027eed543f14ace397fccf
https://doi.org/10.1007/s10822-017-0047-0
https://doi.org/10.1007/s10822-017-0047-0
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
Publikováno v:
Journal of Cheminformatics
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-13 (2018)
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-13 (2018)
Background Protein-ligand docking programs are routinely used in structure-based drug design to find the optimal binding pose of a ligand in the protein’s active site. These programs are also used to identify potential drug candidates by ranking la
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6639bc76e2eb7d886eb25dcf3b0f7b87
http://europepmc.org/articles/PMC6755579
http://europepmc.org/articles/PMC6755579
Publikováno v:
CEC
Protein-ligand docking programs are valuable tools in the modern drug discovery process for predicting the complex structure of a small molecule ligand and the target protein. Often, the configurational search algorithm in the docking tool consists o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::631709416ca972ee9983c17f9ee04449
https://doi.org/10.1109/cec.2016.7743869
https://doi.org/10.1109/cec.2016.7743869