Results 21 to 30 of about 1,488,373 (296)

Voronoi binding site models [PDF]

Journal of Computational Chemistry, 1987
AbstractA frequently occurring problem in drug design and enzymology is that the binding constants for several compounds to the same site are known, but the geometry and energetic interactions of the site are not. This paper presents in detail a novel approach to the problem which accurately but compactly represents the allowed conformation space of ...
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Identification of hACE2-interacting sites in SARS-CoV-2 spike receptor binding domain for antiviral drugs screening

Virus Research, 2022
The key structure of the interface between the spike protein of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) and human angiotensin-converting enzyme 2 (hACE2) acts as an essential switch for cell entry by the virus and drugs targets ...
Xiaopeng Hu, Jiahua Cui, Jun Chen, Shujuan Du, Xinyu Wang, Yabin Zhang, Jiajun Qian, Haifeng Chen, Fang Wei, Qiliang Cai, Jinping Jia, Ji Wu   +11 more
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Discovery of Cisplatin Binding to Thymine and Cytosine on a Single-Stranded Oligodeoxynucleotide by High Resolution FT-ICR Mass Spectrometry

Molecules, 2019
The clinically widely-used anticancer drug, cisplatin, binds strongly to DNA as a DNA-damaging agent. Herein, we investigated the interaction of cisplatin with a 15-mer single-stranded C,T-rich oligodeoxynucleotide, 5′-CCTT4CTT7G8C9T10TCTCC-3′
Wenjuan Zeng, Yanyan Zhang, Wei Zheng, Qun Luo, Juanjuan Han, Jian’an Liu, Yao Zhao, Feifei Jia, Kui Wu, Fuyi Wang   +9 more
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Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands

Molecules, 2018
Dipeptidyl peptidase-4 (DPP-4) is a target to treat type II diabetes mellitus. Therefore, it is important to understand the structural aspects of this enzyme and its interaction with drug candidates.
Simone Queiroz Pantaleão, Eric Allison Philot, Pedro Túlio de Resende-Lara, Angélica Nakagawa Lima, David Perahia, Maria Atanassova Miteva, Ana Ligia Scott, Kathia Maria Honorio   +7 more
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Prediction of Metal Ion Binding Sites in Proteins from Amino Acid Sequences by Using Simplified Amino Acid Alphabets and Random Forest Model [PDF]

Genomics & Informatics, 2017
Metal binding proteins or metallo-proteins are important for the stability of the protein and also serve as co-factors in various functions like controlling metabolism, regulating signal transport, and metal homeostasis.
Suresh Kumar
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Comprehensive Analysis of Breast Cancer Cell Lines: Genome-wide Insights from ChIP-seq Analysis

Biomedical and Biotechnology Research Journal
Context: Chromatin immunoprecipitation followed by sequencing (ChIP-seq) is the central system in epigenomic exploration. Chromatin immunoprecipitation coupled with sequencing (ChIP-seq) is an important technology to identify the genome-wide location of ...
Tanishq Sahu, Ruchi Yadav
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BTFBS: Binding Prediction of Bacterial Transcription Factors and Binding Sites Based on Deep Learning

Mathematics
The binding of transcription factors (TFs) to TF binding sites plays a vital role in the process of regulating gene expression and evolution. With the development of machine learning and deep learning, some successes have been achieved in predicting ...
Bingbing Jin, Song Liang, Xiaoqian Liu, Rui Zhang, Yun Zhu, Yuanyuan Chen, Guangjin Liu, Tao Yang   +7 more
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Analysis of Structures of SARS-CoV-2 Papain-like Protease Bound with Ligands Unveils Structural Features for Inhibiting the Enzyme

Molecules
The COVID-19 pandemic, driven by the novel coronavirus SARS-CoV-2, has drastically reshaped global health and socioeconomic landscapes. The papain-like protease (PLpro) plays a critical role in viral polyprotein cleavage and immune evasion, making it a ...
Ann Varghese, Jie Liu, Bailang Liu, Wenjing Guo, Fan Dong, Tucker A. Patterson, Huixiao Hong   +6 more
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Data of protein-RNA binding sites

Data in Brief, 2017
Despite the increasing number of protein-RNA complexes in structure databases, few data resources have been made available which can be readily used in developing or testing a method for predicting either protein-binding sites in RNA sequences or RNA ...
Wook Lee, Byungkyu Park, Daesik Choi, Kyungsook Han   +3 more
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binding site [PDF]

, 2014
Citation: 'binding site' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.B00649 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
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