Dynamics of human protein kinase Aurora A linked to drug selectivity by Warintra Pitsawong, Vanessa Buosi, Renee Otten, Roman V Agafonov, Adelajda Zorba, Nadja Kern, Steffen Kutter, Gunther Kern, Ricardo AP Pádua, Xavier Meniche, Dorothee Kern

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Application of the Cellular Thermal Shift Assay (CETSA) to validate drug target engagement in platelets by Joanna-Marie Howes, Matthew T. Harper

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Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? by Anastasia R. Rugel, Meghan A. Guzman, Alexander B. Taylor, Frédéric D. Chevalier, Reid S. Tarpley, Stanton F. McHardy, Xiaohang Cao, Stephen P. Holloway, Timothy J.C. Anderson, P. John Hart, Philip T. LoVerde

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Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding by Fang Wu, Shuting Jin, Yinghui Jiang, Xurui Jin, Bowen Tang, Zhangming Niu, Xiangrong Liu, Qiang Zhang, Xiangxiang Zeng, Stan Z. Li

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Production of a Human Histamine Receptor for NMR Spectroscopy in Aqueous Solutions by Emma Mulry, Arka Prabha Ray, Matthew T. Eddy

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Cardiac toxicity of Triptergium wilfordii Hook F. may correlate with its inhibition to hERG channel by Wei Zhao, Liping Xiao, Lanying Pan, Xianfu Ke, Yanting Zhang, Dian Zhong, Jianwei Xu, Fumin Cao, Liren Wu, Yuan Chen

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Tumor Immunotherapy Using A_2A Adenosine Receptor Antagonists by Jinfeng Zhang, Wenzhong Yan, Wenwen Duan, Kurt Wüthrich, Jianjun Cheng

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Locating ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation by Ashley Ryan Vidad, Stephen Macaspac, Ho Leung Ng

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Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor by Alessandro Barbieri, Nopnithi Thonghin, Talha Shafi, Stephen M. Prince, Richard F. Collins, Robert C. Ford

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Computer-aided drug design against spike glycoprotein of SARS-CoV-2 to aid COVID-19 treatment by Muhammad Shehroz, Tahreem Zaheer, Tanveer Hussain

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Real-time tracking of drug binding to influenza A M2 reveals a high energy barrier by Kumar Tekwani Movellan, Melanie Wegstroth, Kerstin Overkamp, Andrei Leonov, Stefan Becker, Loren B. Andreas

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The sub-MIC selective window decreases along the digestive tract: determination of the minimal selective concentration of oxytetracycline in sterilised intestinal contents by Pedro Henrique Imazaki, Bertille Voisin, Nathalie Arpaillange, Béatrice B. Roques, Emilie Dordet-Frisoni, Véronique Dupouy, Aude A. Ferran, Alain Bousquet-Mélou, Delphine Bibbal

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Lysine 268 adjacent to transmembrane helix 5 of hamster P‐glycoprotein is the major photobinding site of iodomycin in CHO B30 cells by Annette Demmer, Hubert Thole, Manfred Raida, Burkhard Tümmler

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Identification and characterization of a phenyl-thiazolyl-benzoic acid derivative as a novel RAR/RXR agonist by Chie Koshiishi, Takanori Kanazawa, Eric Vangrevelinghe, Toshiyuki Honda, Shinji Hatakeyama

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Modelling Hollow Microneedle-Mediated Drug Delivery in Skin Considering Drug Binding by Tanmoy Bhuimali, Sarifuddin, Diganta Bhusan Das, Prashanta Kumar Mandal

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P-glycoprotein retains function when reconstituted into a sphingolipid- and cholesterol-rich environment by Szabolcs Modok, Catherine Heyward, Richard Callaghan

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Qualitative Prediction of Ligand Dissociation Kinetics from Focal Adhesion Kinase Using Steered Molecular Dynamics by Justin Spiriti, Chung F. Wong

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A biophysical approach of cytarabine anticancer drug insights into human serum albumin and checkpoint kinase 1 by Manoharan Rupavarshini, Subramani Karthikeyan, Sundaramoorthy Anandh, Anitha Ramamoorthi, Suganya Ramakrishnamurthy, Ganesan Bharanidharan, Prakasarao Aruna, Rajendiran Mangaiyarkarasi, Shanmugavel Chinnathambi, Ganesh N. Pandian, Singaravelu Ganesan

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Screening and assessment of molecular mechanistic actions of 5-hydroxy-1-methylpiperidin-2-one against free radicals, lung cancer cell line (A549), and binding properties on bovine... by Sangilimuthu Alagar Yadav, Lukmanul Hakkim Faruck, Rajagopal Subramanium, Lakshmi K. Surendren, Hamid Bakshi

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Importance of modelling hERG binding in predicting drug-induced action potential prolongations for drug safety assessment by Hui Jia Farm, Michael Clerx, Fergus Cooper, Liudmila Polonchuk, Ken Wang, David J. Gavaghan, David J. Gavaghan, Chon Lok Lei, Chon Lok Lei

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