Basis for Accurate Protein p<i>K</i><sub>a</sub> Prediction with Machine Learning-Reference-Cited by-同舟云学术

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Basis for Accurate Protein pK_a Prediction with Machine Learning

Published:2023-05-05 Issue:10 Volume:63 Page:2936-2947
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cai Zhitao¹,Liu Tengzi¹,Lin Qiaoling¹,He Jiahao¹,Lei Xiaowei¹,Luo Fangfang¹,Huang Yandong¹^ORCID

Affiliation:

1. College of Computer Engineering, Jimei University, Xiamen 361021, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00254

Reference78 articles.

1. Sensors and regulators of intracellular pH

2. How Electrostatic Coupling Enables Conformational Plasticity in a Tyrosine Kinase

3. Assessing Lysine and Cysteine Reactivities for Designing Targeted Covalent Kinase Inhibitors

4. Histidine168 is crucial for ΔpH-dependent gating of the human voltage-gated proton channel, hHV1

5. Crystal structure of the Na+/H+ antiporter NhaA at active pH reveals the mechanistic basis for pH sensing

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1. AI for organic and polymer synthesis;Science China Chemistry;2024-06-26

2. Accurate Protein pK_a Prediction with Physical Organic Chemistry Guided 3D Protein Representation;Journal of Chemical Information and Modeling;2024-05-23

3. DeepKa Web Server: High-Throughput Protein pK_a Prediction;Journal of Chemical Information and Modeling;2024-03-26

4. ANI neural network potentials for small molecule pK_a prediction;Physical Chemistry Chemical Physics;2024

5. Open-Source Machine Learning in Computational Chemistry;Journal of Chemical Information and Modeling;2023-07-19

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