Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

“…A State of the Art lecture titled “structural bioinformatics technologies for rational drug design: from in silico to in vivo” was presented at the International Society on Thrombosis and Haemostasis (ISTH) Congress in 2024. …”
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Mycobacterial genomics and structural bioinformatics: opportunities and challenges in drug discovery by Vaishali P. Waman, Sundeep Chaitanya Vedithi, Sherine E. Thomas, Bridget P. Bannerman, Asma Munir, Marcin J. Skwark, Sony Malhotra, Tom L. Blundell

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Structural bioinformatics and gene expression analysis of maturase K from Lavandula angustifolia (lavender) by Dafeng Liu, Dafeng Liu, Na Li, Daoqi Song, Zhenming Lv

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A Structural Bioinformatics-Guided Study of Adenosine Triphosphate-Binding Cassette (ABC) Transporters and Their Substrates by Iqra Younus, Robert C. Ford, Stephen M. Prince

“…In this study, four ABC transporters were chosen based on (I) their importance in humans and (II) their score in a structural bioinformatics screen aimed at the prediction of crystallisation propensity. …”
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Transcriptomic, mutational and structural bioinformatics approaches to explore the therapeutic role of FAP in predominant cancer types by Gayathri Ashok, Abdullah F. AlAsmari, Fawaz AlAsmari, Paul Livingstone, Anand Anbarasu, Sudha Ramaiah

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Structural bioinformatics approaches for predicting novel drug targets in hepatitis C virus proteins: a comprehensive analysis by Miao Qu, Mingzhu Gao, Xisheng Sang, Miao Yu, Zihe Guan, Weizhi Chang

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Structural bioinformatic study of human mitochondrial respiratory integral membrane megacomplex and its AlphaFold3 predicted water-soluble QTY megacomplex analog by Edward Chen, Shuguang Zhang

“…We carried out the structural bioinformatics analysis of 20 key enzymes in the integral membrane parts. …”
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A novel variant of TFAP2A in a familial case of branchio-oculo-facial syndrome: Insights from structural bioinformatics and molecular dynamics simulation by Jingjing Zhao, Nuo Si, Ningbei Yin, Tao Song

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Structural bioinformatic study of six human olfactory receptors and their AlphaFold3 predicted water-soluble QTY variants and OR1A2 with an odorant octanoate and TAAR9 with spermidine by Finn Johnsson, Taner Karagöl, Alper Karagöl, Shuguang Zhang

“…To understand olfaction, we carried out the structural bioinformatic study of six human olfactory receptors including OR51E1, OR51E2, OR52cs, OR1A1, OR1A2, TAAR9, and their AlphaFold3 predicted water-soluble QTY variants with odorants. …”
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An outlook on structural biology after AlphaFold: tools, limits and perspectives by Serena Rosignoli, Maddalena Pacelli, Francesca Manganiello, Alessandro Paiardini

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<i>In Silico</i> Analysis of Phosphomannomutase-2 Dimer Interface Stability and Heterodimerization with Phosphomannomutase-1 by Bruno Hay Mele, Jessica Bovenzi, Giuseppina Andreotti, Maria Vittoria Cubellis, Maria Monticelli

Subjects: “…structural bioinformatics…”
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Investigations on genomic, topological and structural properties of diguanylate cyclases involved in Vibrio cholerae biofilm signalling using in silico techniques: Promising drug t... by Tuhin Manna, Subhamoy Dey, Monalisha Karmakar, Amiya Kumar Panda, Chandradipa Ghosh

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50 Years of Antibody Numbering Schemes: A Statistical and Structural Evaluation Reveals Key Differences and Limitations by Zirui Zhu, Katherine S. Olson, Thomas J. Magliery

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Revisiting phage tail spike architecture: evidence for undetected receptor-binding proteins in Caudoviricetes with non-contractile tails by Rafał Matusiak, Magdalena Antczak, Anna Kawa, Małgorzata Paszkiewicz, Jolanta Witaszewska, Joanna Kazimierczak, Ewelina A. Wójcik

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Integrative profiling of lung cancer biomarkers EGFR, ALK, KRAS, and PD-1 with emphasis on nanomaterials-assisted immunomodulation and targeted therapy by Li Peng, Hongmei Li, Wencai Yan, Yingjie Liu, Haihao Zhu, Yingcai Hong

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deepBBQ: A Deep Learning Approach to the Protein Backbone Reconstruction by Justyna D. Kryś, Maksymilian Głowacki , Piotr Śmieja , Dominik Gront

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IDRdecoder: a machine learning approach for rational drug discovery toward intrinsically disordered regions by Clara Shionyu-Mitusyama, Satoshi Ohmori, Subaru Hirata, Hirokazu Ishida, Tsuyoshi Shirai, Tsuyoshi Shirai

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PaleAle 6.0: Prediction of Protein Relative Solvent Accessibility by Leveraging Pre-Trained Language Models (PLMs) by Wafa Alanazi, Di Meng, Gianluca Pollastri

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A new chapter for RCSB Protein Data Bank Molecule of the Month in 2025 by Janet Iwasa, David S. Goodsell, Stephen K. Burley, Christine Zardecki

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Alpha and Omega Classification of β-Lactamase/Transpeptidase-like Superfamily Proteins Based on the Comparison of Their Structural Catalytic Cores by Alexander I. Denesyuk, Konstantin Denessiouk, Mark S. Johnson, Vladimir N. Uversky

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