Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in bioinformatics, 2021 - academic.oup.com
Accurately predicting protein–ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …
被引用次数：47 相关文章

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions.

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2021 - search.ebscohost.com
Accurately predicting protein–ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2021 - academic.oup.com
Accurately predicting protein–ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2020 - cir.nii.ac.jp
抄録< jats: title> Abstract</jats: title>< jats: p> Accurately predicting protein–ligand binding
affinities can substantially facilitate the drug discovery process, but it remains as a difficult …

Computationally predicting binding affinity in protein-ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in bioinformatics, 2021 - pubmed.ncbi.nlm.nih.gov
Accurately predicting protein-ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2021 - scholars.cityu.edu.hk
Accurately predicting protein–ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

Computationally predicting binding affinity in protein-ligand complexes: free energy-based simulations and machine learning-based scoring functions.

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2021 - europepmc.org
Accurately predicting protein-ligand binding affinities can substantially facilitate the drug
discovery process, but it remains as a difficult problem. To tackle the challenge, many …

[引用][C] Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

DD Wang, M Zhu, H Yan - Briefings in Bioinformatics, 2021 - scholars.cityu.edu.hk
Computationally predicting binding affinity in protein–ligand complexes - CityU Scholars | A
Research Hub of Excellence Researcher login City University of Hong Kong City University of …