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| Open AccessABCB4 disease-causing variants S242R, S346I, T437I and T1077M significantly impair its function and display differential sensitivity to potentiators
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Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening
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Microsecond simulations to investigate the structural mechanism of super-resistant double mutations in BTK to the covalent inhibitor ibrutinib in multiple leukemia
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Structure of a barrel-stave pore formed by magainin-2 reveals anion selectivity and zipper-mediated assembly
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Machine learning-based virtual screening and density functional theory characterisation of natural inhibitors targeting mutant PBP2x in Streptococcus pneumoniae
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Viscoelastic characterization of the lipid cubic phase provides insights into high-viscosity extrusion injection for XFEL experiments
- Dmitrii Zabelskii
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Identification of potential PI3Kγ inhibitors among FDA approved drugs using integrated computational and quantum chemical approaches
- Asma Nosratzehi
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Molecular mechanism and structural models of protein-mediated copper transfer to the Arabidopsis thaliana ethylene receptor ETR1 at the ER membrane
- Dominik Dluhosch
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Towards site-specific information on PET degrading enzymes using NMR near operational temperature
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Targeting KRASG13C with cyclic linker based inhibitors to explore warhead orientation
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Computational analysis of miRNA mediated KDR gene regulation and natural VEGFR2 inhibitors from Persicaria hydropiper in hepatocellular carcinoma
- Sk. Faisal Ahmed
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Joint analysis of sQTL and Hi-C reveals spatial proximity between sQTLs and target genes in cancer tissues
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Olfactory gene dynamics in invasive Indian and non-invasive African malaria vectors at the crossroads of development, infection and resistance
- Arvind Sharma
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Structural basis for antibiotic resistance by chloramphenicol acetyltransferase type A in Staphylococcus aureus
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Exploring GNRA tetraloop-like motifs in nucleic acid 3D structures
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Characterization of a phosphoinositide-binding protein containing a PHOX homology domain in the malaria parasite Plasmodium falciparum
- Stéphanie Roucheray
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Structural determination of small proteins by cryo-EM using a coiled coil module strategy
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Crystal structures of Campylobacter jejuni CadF reveal a potential role for the arginine residue R268 in peptidoglycan recognition and pocket formation
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Bioinformatic analysis of rare endothelial protein C receptor missense variants associated with coagulation and thrombophilia risk
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Computational insights into harmala alkaloids as novel antimalarial candidates against Plasmodium falciparum
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New rhinovirus uncoating intermediate reveals how sodium versus potassium ions influence RNA release
- Antonio Real-Hohn
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Investigation of Akt1 behavior on gold surface from molecular dynamics insight
- Farzane Abasi Joozdani
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Physicochemical profiling of Bambara groundnut (Vigna subterranea L.) reveals variation in cooking quality relevant to breeding programs
- Amanda Ruzive
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Leveraging artificial intelligence to enable sustainable urban development through the creation of smart and environmentally friendly carbon-free cities
- Amina Salhi
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Inflammatory and morphological changes in the colon reflect early aging induced by d-galactose in rats
- Cherry Azaria
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Chain formation mediated by Escherichia coli immunoglobulin-binding proteins EibD and EibG depends on expression levels and localization of proteins
- Lena-Sophie Swiatek
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- & Jack C. Leo
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A comparative study of computational modeling approaches for evaluating structural dynamics and algorithmic suitability of short length peptides
- Ananya Anurag Anand
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Structural and energetic basis of marine phytochemicals as dengue NS1 protein inhibitors
- Sanjida Mahjabin Sanju
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Seasonal variation in the phenolic compounds of Algerian Cistus creticus leaf extracts: an in silico and in vitro study
- Yacine Aouiffat
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Functional anatomy of the sharpshooter precibarial valve supports its role in probing behaviors that control inoculation of Xylella fastidiosa
- Elaine A. Backus
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A comprehensive application of FiveFold for conformation ensemble-based protein structure prediction
- Sarfaraz K. Niazi
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Molecular dynamics insights into the redox effects on PD-1/PD-L1 and PD-1/PD-L2 interactions
- Rasulbek Mashalov
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Theoretical studies of arbutin, glutathione, and sea cucumber extracts as inhibitors of tyrosinase
- Zheng Zheng
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Investigation of argon plasma treatment on the structural, surface morphology and electrical properties of bovine cortical bone
- A. M. Abdel Reheem
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Unraveling cooperative and competitive interactions within protein triplets in the human interactome
- Aimilia-Christina Vagiona
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Implementation of nanographene oxide combined with mineral trioxide aggregate and hydroxyapatite biopolymer in regeneration of critical-sized bone defect in rats
- Amr H. Abdallah
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Deciphering molecular determinants of GPBAR1-Gs protein interactions by HDX-MS and cryo-EM
- Jérôme Castel
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“In silico analysis of human TLR3 missense single nucleotide polymorphisms and their potential association with cancer”
- Mohini Agarwal
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NMR based clinical metabolomics revealed altered lipid and sugar metabolism in systemic sclerosis with implications for diagnosis and therapeutic strategies
- Gurvinder Singh
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A novel mRNA-based multi-epitope vaccine for rabies virus computationally designed via reverse vaccinology and immunoinformatics
- Wafa Tombari
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The interactions of non-functionalized polystyrene nanoparticles with human albumin and erythrocyte proteins: implications and potential consequences
- Kamil Płuciennik
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Assessment of Chlorella vulgaris as a biological control agent against tortoise tick Hyalomma aegyptium (Acari: Ixodidae) in Egypt
- Mohammed Okely
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Selective deletion or preservation of tissue components via enzymatic digestion monitored by scanning acoustic microscopy
- Katsutoshi Miura
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| Open Access
In Silico discovery of novel androgen receptor inhibitors for prostate cancer therapy using virtual screening, molecular docking, and molecular dynamics simulations
- Xing Huang
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Oversized nanodiscs for combined structural and functional investigation of multicomponent membrane protein systems
- Bozhidar S. Ivanov
- & Judy Hirst
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Degradation kinetics of Andrographolide in aqueous solution, product identification and biological activity evaluation
- Wuttichai Jaidee
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- & Rawiwan Charoensup
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Targeting programmed death ligand 1 for anticancer therapy using computational drug repurposing and molecular simulations
- Mohd Shahnawaz Khan
- , Anas Shamsi
- & Dharmendra Kumar Yadav
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| Open Access
Biophysical characterization and solution structure of the cannulae-forming protein CanA from the hyperthermophilic archaeon Pyrodictium abyssi
- Claudia E. Munte
- , Raphael Kreitner
- & Hans Robert Kalbitzer
Structural and functional insights into internal domain replacement in SpCas9 for protein engineering
In-cell NMR reveals the first direct observation of endogenous interaction between HIV Tat protein and Tat RNA aptamer in human cells