Zobrazeno 1 - 10
of 60
pro vyhledávání: '"Nguyen, Duc D."'
Autor:
Nguyen, Duc D.1 (AUTHOR) ducnguyen@uky.edu, Mansur, Shomit2 (AUTHOR) smansur@crimson.ua.edu, Ciesla, Lukasz3 (AUTHOR) lmciesla@ua.edu, Gray, Nora E.4 (AUTHOR) grayn@ohsu.edu, Zhao, Shan5 (AUTHOR) szhao@ua.edu, Bao, Yuping2 (AUTHOR) ducnguyen@uky.edu
Publikováno v:
Molecules. Sep2024, Vol. 29 Issue 17, p3992. 17p.
Current drug discovery is expensive and time-consuming. It remains a challenging task to create a wide variety of novel compounds with desirable pharmacological properties and cheaply available to low-income people. In this work, we develop a generat
Externí odkaz:
http://arxiv.org/abs/2005.14286
Currently, there is no effective antiviral drugs nor vaccine for coronavirus disease 2019 (COVID-19) caused by acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to its high conservativeness and low similarity with human genes, SARS-CoV-2 mai
Externí odkaz:
http://arxiv.org/abs/2005.13653
Recently, machine learning (ML) has established itself in various worldwide benchmarking competitions in computational biology, including Critical Assessment of Structure Prediction (CASP) and Drug Design Data Resource (D3R) Grand Challenges. However
Externí odkaz:
http://arxiv.org/abs/1912.04724
Autor:
Tung, Tran T., Tran, Manh T., Pereira, Ana L.C., Cordeiro, Cristiano M.B., Nguyen, Duc D., Tai, Nyan-Hwa, Tran, Van V., Hsu, Chia-Chen, Joshi, Prerna, Yoshimura, Masamichi, Feller, Jean F., Castro, Mickael, Hassan, Kamul, Nine, Md J., Stanley, Nathan, Losic, Dusan
Publikováno v:
In Colloids and Surfaces B: Biointerfaces January 2023 221
We present a feature functional theory - binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) representability: there exists a microscopic feature vector that can uni
Externí odkaz:
http://arxiv.org/abs/1703.10927
Poisson-Boltzmann (PB) model is one of the most popular implicit solvent models in biophysical modeling and computation. The ability of providing accurate and reliable PB estimation of electrostatic solvation free energy, $\Delta G_{\text{el}}$, and
Externí odkaz:
http://arxiv.org/abs/1603.04054
Publikováno v:
Natural Product Communications; Nov2023, Vol. 18 Issue 11, p1-12, 12p
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