Dingyan Wang
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Explore the profile of Dingyan Wang including associated specialties, affiliations and a list of published articles.
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41
Citations
817
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Recent Articles
1.
Zhong F, Yue R, Chen J, Wang D, Ma S, Chen S
J Med Chem
. 2025 Mar;
PMID: 40056132
In the post-GPT era, Llama-Gram represents a promising advancement in AI-driven chemical drug discovery, grounded in the chemical principle that molecular structure determines properties. This folding-based end-to-end framework seeks to...
2.
Zhang Y, Xie Z, Xiao F, Yu J, Fan Z, Sun S, et al.
Mol Pharm
. 2024 Nov;
21(12):6177-6192.
PMID: 39508275
Pharmacokinetic (PK) properties of a drug are vital attributes influencing its therapeutic effectiveness, playing an important role in the drug development process. Focusing on the difficult task of predicting PK...
3.
Luo Z, Lin C, Yu C, Yuan C, Wu W, Xu X, et al.
Cancer Res
. 2024 Oct;
85(1):101-117.
PMID: 39437162
Son of sevenless homolog 1 (SOS1) is an essential guanine nucleotide exchange factor for RAS that also plays a critical role in the activation of the small GTPase RAC mediated...
4.
Fan Z, Yu J, Zhang X, Chen Y, Sun S, Zhang Y, et al.
Patterns (N Y)
. 2024 Jul;
5(6):100991.
PMID: 39005492
Deep-learning-based classification models are increasingly used for predicting molecular properties in drug development. However, traditional classification models using the Softmax function often give overconfident mispredictions for out-of-distribution samples, highlighting a...
5.
Xiang W, Zhong F, Ni L, Zheng M, Li X, Shi Q, et al.
Brief Bioinform
. 2024 Jul;
25(4).
PMID: 38990515
Accurate prediction of molecular properties is fundamental in drug discovery and development, providing crucial guidance for effective drug design. A critical factor in achieving accurate molecular property prediction lies in...
6.
He X, Zhao L, Tian Y, Li R, Chu Q, Gu Z, et al.
Nat Commun
. 2024 Jun;
15(1):5163.
PMID: 38886381
As the most abundant organic substances in nature, carbohydrates are essential for life. Understanding how carbohydrates regulate proteins in the physiological and pathological processes presents opportunities to address crucial biological...
7.
Xiao F, Ding X, Shi Y, Wang D, Wang Y, Cui C, et al.
Comput Biol Med
. 2024 Jan;
169:107958.
PMID: 38194778
Background: Over the past few decades, agonists binding to the benzodiazepine site of the GABA receptor have been successfully developed as clinical drugs. Different modulators (agonist, antagonist, and reverse agonist)...
8.
Yu J, Li Z, Chen G, Kong X, Hu J, Wang D, et al.
Nat Comput Sci
. 2024 Jan;
3(10):860-872.
PMID: 38177766
Structure-based lead optimization is an open challenge in drug discovery, which is still largely driven by hypotheses and depends on the experience of medicinal chemists. Here we propose a pairwise...
9.
Ren Q, Qu N, Sun J, Zhou J, Liu J, Ni L, et al.
Brief Bioinform
. 2023 Dec;
25(1).
PMID: 38113075
Kinase inhibitors are crucial in cancer treatment, but drug resistance and side effects hinder the development of effective drugs. To address these challenges, it is essential to analyze the polypharmacology...
10.
Wang Y, Xiong J, Xiao F, Zhang W, Cheng K, Rao J, et al.
J Cheminform
. 2023 Sep;
15(1):76.
PMID: 37670374
Lipophilicity is a fundamental physical property that significantly affects various aspects of drug behavior, including solubility, permeability, metabolism, distribution, protein binding, and toxicity. Accurate prediction of lipophilicity, measured by the...