FingerDTA: A Fingerprint-Embedding Framework for Drug-Target Binding Affinity Prediction by Xuekai Zhu, Juan Liu, Jian Zhang, Zhihui Yang, Feng Yang, Xiaolei Zhang

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Fluorescence Correlation Spectroscopy in Drug Discovery: Study of Alexa532-Endothelin 1 Binding to the Endothelin ETA Receptor to Describe the Pharmacological Profile of Natural Products by Catherina Caballero-George, Thomas Sorkalla, Daniel Jakobs, Jessica Bolaños, Huzefa Raja, Carol Shearer, Eldredge Bermingham, Hanns Häberlein

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Molecular Assessment of Domain I of Apical Membrane Antigen I Gene in Plasmodium falciparum: Implications in Plasmodium Invasion, Taxonomy, Vaccine Development, and Drug Discovery by Che Roland Achungu, Damian Nota Anong, Robert Adamu Shey, Cevie Jesenta Tabe

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Application of quantitative protein mass spectrometric data in the early predictive analysis of membrane-bound target engagement by monoclonal antibodies by Armin Sepp, Morris Muliaditan

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Borrelia burgdorferi Tolerance-Associated Changes in Gene Expression of Murine Macrophages by Sophia Chen, Ricki Deng, Anis Hadi, Sara Nandwana, William Ryan, John B. Presloid, R. Mark Wooten

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Structure-based identification of HNF4α agonists: Rosmarinic acid as a promising candidate for NAFLD treatment by Xi Chen, Xinqi Zhu, Gang Wu, Xiaobo Wang, Yu Zhang, Nan Jiang

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Artificial intelligence driven innovations in biochemistry: A review of emerging research frontiers by Mohammed Abdul Lateef Junaid

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Enhancing foundation models for scientific discovery via multimodal knowledge graph representations by Vanessa Lopez, Lam Hoang, Marcos Martinez-Galindo, Raúl Fernández-Díaz, Marco Luca Sbodio, Rodrigo Ordonez-Hurtado, Mykhaylo Zayats, Natasha Mulligan, Joao Bettencourt-Silva

Subjects: “…Knowledge-enhanced drug discovery…”
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The role of artificial intelligence and machine learning in predicting and combating antimicrobial resistance by Hazrat Bilal, Muhammad Nadeem Khan, Sabir Khan, Muhammad Shafiq, Wenjie Fang, Rahat Ullah Khan, Mujeeb Ur Rahman, Xiaohui Li, Qiao-Li Lv, Bin Xu

Subjects: “…Machine Learning, Drug Discovery…”
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Influence of next-generation artificial intelligence on headache research, diagnosis and treatment: the junior editorial board members’ vision – part 2 by Igor Petrušić, Chia-Chun Chiang, David Garcia-Azorin, Woo-Seok Ha, Raffaele Ornello, Lanfranco Pellesi, Eloisa Rubio-Beltrán, Ruth Ruscheweyh, Marta Waliszewska-Prosół, William Wells-Gatnik

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PhyIndBC: Development of a machine learning tool for screening of potential breast cancer inhibitors from phytochemicalsGitHub by Agneesh Pratim Das, Subhash M. Agarwal

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Barlow Twins deep neural network for advanced 1D drug–target interaction prediction by Maximilian G. Schuh, Davide Boldini, Annkathrin I. Bohne, Stephan A. Sieber

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Large-scale data mining of four billion human antibody variable regions reveals convergence between therapeutic and natural antibodies that constrains search space for biologics drug discovery by Pawel Dudzic, Dawid Chomicz, Jarosław Kończak, Tadeusz Satława, Bartosz Janusz, Sonia Wrobel, Tomasz Gawłowski, Igor Jaszczyszyn, Weronika Bielska, Samuel Demharter, Roberto Spreafico, Lukas Schulte, Kyle Martin, Stephen R. Comeau, Konrad Krawczyk

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Broad-spectrum bioactivities of a sulfated heteropolysaccharide from Bacillus tequilensis MYG163: antioxidant, anti-Inflammatory, anticancer, antimicrobial, and antibiofilm propert... by Maha Abdullah Alwaili, Mohammed A. Alshehri, Thanaa R. Abdulrahman, Faisal Miqad K. Albaqami, Abdullah Alghamdi, Mona Othman I. Albureikan, Taghreed Shamrani, Abdullah Albelasi, Mohammad El-Nablaway, Samy Selim, Ahmed Ghareeb

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Engineering cardiology with miniature hearts by Xiaojun Xia, Miner Hu, Wenyan Zhou, Yunpeng Jin, Xudong Yao

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A split intein and split luciferase-coupled system for detecting protein-protein interactions by Zhong Yao, Jiyoon Kim, Betty Geng, Jinkun Chen, Victoria Wong, Anna Lyakisheva, Jamie Snider, Marina Rudan Dimlić, Sanda Raić, Igor Stagljar

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Facilitating high throughput bispecific antibody production and potential applications within biopharmaceutical discovery workflows by Caitlin Fawcett, Joseph. R. Tickle, Charlotte. H. Coles

Subjects: “…biopharmaceutical drug discovery…”
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Overcoming beta-lactam resistance in Pseudomonas aeruginosa by targeting metallo-beta-lactamase VIM-1: a one-microsecond molecular dynamics simulation study by Mohammed Salleh M. Ardawi, Samar A. Badreddine, Muhammad Yasir, Muhammad Yasir, Aiah M. Khateb, Aiah M. Khateb, Safaa A. Turkistani, Ahmed Afandi, Samah O. Noor, Adhari Alselmi, Adhari Alselmi, Vivek Dhar Dwivedi, Vivek Dhar Dwivedi, Esam I. Azhar, Esam I. Azhar

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Discovering natural products as potential inhibitors of SARS-CoV-2 spike proteins by Muhammad Alqaaf, Ahmad Kamal Nasution, Mohammad Bozlul Karim, Mahfujul Islam Rumman, Muhammad Hendrick Sedayu, Retno Supriyanti, Naoaki Ono, Md. Altaf-Ul-Amin, Shigehiko Kanaya

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