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| Open AccessIn-silico phenotype prediction by normal mode variant analysis in TUBB4A-related disease
- Avi Fellner
- , Yael Goldberg
- & Felix Benninger
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| Open AccessThe effects of molecular crowding and CpG hypermethylation on DNA G-quadruplexes formed by the C9orf72 nucleotide repeat expansion
- Kadir. A. Ozcan
- , Layla T. Ghaffari
- & Aaron R. Haeusler
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| Open AccessConformation and membrane interaction studies of the potent antimicrobial and anticancer peptide palustrin-Ca
- Patrick B. Timmons
- & Chandralal M. Hewage
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| Open AccessRedesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences
- Christopher R. Corbeil
- , Mahder Seifu Manenda
- & Enrico O. Purisima
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| Open AccessIdentification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations
- Chirag N. Patel
- , Siddhi P. Jani
- & Himanshu A. Pandya
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| Open AccessProteomic and molecular dynamic investigations of PTM-induced structural fluctuations in breast and ovarian cancer
- Dmitry Tikhonov
- , Liudmila Kulikova
- & Anna L. Kaysheva
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| Open AccessTandem domain structure determination based on a systematic enumeration of conformations
- Thérèse E. Malliavin
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| Open AccessA Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experiments
- Julian Giraldo-Barreto
- , Sebastian Ortiz
- & Pilar Cossio
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| Open AccessNatural variants in SARS-CoV-2 Spike protein pinpoint structural and functional hotspots with implications for prophylaxis and therapeutic strategies
- Suman Pokhrel
- , Benjamin R. Kraemer
- & Daria Mochly-Rosen
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| Open AccessAttractive and repulsive residue fragments at the interface of SARS-CoV-2 and hACE2
- Jorge H. Rodriguez
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| Open AccessUncovering of cytochrome P450 anatomy by SecStrAnnotator
- Adam Midlik
- , Veronika Navrátilová
- & Karel Berka
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| Open AccessExtracellular mutation induces an allosteric effect across the membrane and hampers the activity of MRP1 (ABCC1)
- Yuval Bin Kanner
- , Assaf Ganoth
- & Yossi Tsfadia
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| Open AccessATP hydrolysis and nucleotide exit enhance maltose translocation in the MalFGK2E importer
- Bárbara Abreu
- , Carlos Cruz
- & Cláudio M. Soares
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| Open AccessRevealing the activation mechanism of autoinhibited RalF by integrated simulation and experimental approaches
- Balint Dudas
- , David Perahia
- & Erika Balog
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| Open AccessPhosphopeptide interactions of the Nbs1 N-terminal FHA-BRCT1/2 domains
- Kyungmin Kim
- , Thomas W. Kirby
- & Robert E. London
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| Open AccessTick defensin γ-core reduces Fusarium graminearum growth and abrogates mycotoxins production with high efficiency
- Valentin Leannec-Rialland
- , Alejandro Cabezas-Cruz
- & Florence Richard-Forget
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| Open AccessAge-dependent ataxia and neurodegeneration caused by an αII spectrin mutation with impaired regulation of its calpain sensitivity
- Arkadiusz Miazek
- , Michał Zalas
- & Michael C. Stankewich
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| Open AccessN-Glycosylation can selectively block or foster different receptor–ligand binding modes
- Joni Vuorio
- , Jana Škerlová
- & Hector Martinez-Seara
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| Open AccessSerine 477 plays a crucial role in the interaction of the SARS-CoV-2 spike protein with the human receptor ACE2
- Amit Singh
- , Georg Steinkellner
- & Christian C. Gruber
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| Open AccessIdentification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2
- Ewelina Weglarz-Tomczak
- , Jakub M. Tomczak
- & Stanley Brul
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| Open AccessModified recombinant human erythropoietin with potentially reduced immunogenicity
- Thanutsorn Susantad
- , Mayuree Fuangthong
- & Ram Sasisekharan
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| Open AccessSARS-CoV-2 infection susceptibility influenced by ACE2 genetic polymorphisms: insights from Tehran Cardio-Metabolic Genetic Study
- Hossein Lanjanian
- , Maryam Moazzam-Jazi
- & Maryam S. Daneshpour
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| Open AccessGlycocalyx regulates the strength and kinetics of cancer cell adhesion revealed by biophysical models based on high resolution label-free optical data
- Nicolett Kanyo
- , Kinga Dora Kovacs
- & Robert Horvath
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| Open AccessFunctional and computational identification of a rescue mutation near the active site of an mRNA methyltransferase
- Pierre-Yves Colin
- & Paul A. Dalby
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| Open AccessThe extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action
- Julia Weikum
- , Alina Kulakova
- & J. Preben Morth
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| Open AccessImmunoinformatic design of a COVID-19 subunit vaccine using entire structural immunogenic epitopes of SARS-CoV-2
- Esmaeil Behmard
- , Bijan Soleymani
- & Ebrahim Barzegari
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| Open AccessUSP24 stabilizes bromodomain containing proteins to promote lung cancer malignancy
- Shao-An Wang
- , Ming-Jer Young
- & Jan-Jong Hung
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| Open AccessPharmacological characterisation of novel adenosine A3 receptor antagonists
- Kerry Barkan
- , Panagiotis Lagarias
- & Graham Ladds
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| Open AccessDemystifying the catalytic pathway of Mycobacterium tuberculosis isocitrate lyase
- Collins U. Ibeji
- , Nor Amirah Mohd Salleh
- & Yee Siew Choong
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| Open AccessSpecifically bound BZIP transcription factors modulate DNA supercoiling transitions
- Johanna Hörberg
- & Anna Reymer
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| Open AccessPrediction of the binding interface between monoclonal antibody m102.4 and Nipah attachment glycoprotein using structure-guided alanine scanning and computational docking
- Phanthakarn Tit-oon
- , Kannan Tharakaraman
- & Mayuree Fuangthong
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| Open AccessStructure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis
- Shuntaro Chiba
- , Aki Tanabe
- & Masateru Ohta
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| Open AccessMolecular dynamics of the histamine H3 membrane receptor reveals different mechanisms of GPCR signal transduction
- Leonardo David Herrera-Zúñiga
- , Liliana Marisol Moreno-Vargas
- & Rachid C. Maroun
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| Open AccessSteered molecular dynamic simulations reveal Marfan syndrome mutations disrupt fibrillin-1 cbEGF domain mechanosensitive calcium binding
- Stephen J. Haller
- , Adrian E. Roitberg
- & Andrew T. Dudley
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| Open AccessATP modulates SLC7A5 (LAT1) synergistically with cholesterol
- Jessica Cosco
- , Mariafrancesca Scalise
- & Cesare Indiveri
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| Open AccessSARS-CoV-2 spike protein predicted to form complexes with host receptor protein orthologues from a broad range of mammals
- S. D. Lam
- , N. Bordin
- & C. A. Orengo
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| Open AccessCrystal structure of Epiphyas postvittana pheromone binding protein 3
- Cyril Hamiaux
- , Colm Carraher
- & Jacob A. Corcoran
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| Open AccessThe allosteric activation mechanism of a phospholipase A2-like toxin from Bothrops jararacussu venom: a dynamic description
- Antoniel A. S. Gomes
- , Fabio F. Cardoso
- & Marcos R. M. Fontes
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| Open AccessStructural and functional modelling of SARS-CoV-2 entry in animal models
- Greg N. Brooke
- & Filippo Prischi
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| Open AccessIdentification of pathogenic missense mutations using protein stability predictors
- Lukas Gerasimavicius
- , Xin Liu
- & Joseph A. Marsh
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| Open AccessCharacterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae
- Fabia Furtmann
- , Nicola Porta
- & Sander H. J. Smits
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| Open AccessA pan-cancer assessment of alterations of the kinase domain of ULK1, an upstream regulator of autophagy
- Mukesh Kumar
- & Elena Papaleo
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| Open AccessDynamics of the ACE2–SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms
- Amanat Ali
- & Ranjit Vijayan
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| Open AccessKRAS(G12C)–AMG 510 interaction dynamics revealed by all-atom molecular dynamics simulations
- Tatu Pantsar
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| Open AccessStudying O2 pathways in [NiFe]- and [NiFeSe]-hydrogenases
- Tiago M. Barbosa
- , Carla S. A. Baltazar
- & Cláudio M. Soares
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| Open AccessAlbumin-neprilysin fusion protein: understanding stability using small angle X-ray scattering and molecular dynamic simulations
- Alina Kulakova
- , Sowmya Indrakumar
- & Pernille Harris
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| Open AccessProbing the Structural Dynamics of the Catalytic Domain of Human Soluble Guanylate Cyclase
- Rana Rehan Khalid
- , Arooma Maryam
- & Michael Kokkinidis
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| Open AccessStructural Insight of the Full-Length Ros Protein: A Prototype of the Prokaryotic Zinc-Finger Family
- Gianluca D’Abrosca
- , Antonella Paladino
- & Gaetano Malgieri
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| Open AccessPartial proteolysis improves the identification of the extracellular segments of transmembrane proteins by surface biotinylation
- Tamás Langó
- , Zoltán Gergő Pataki
- & Gábor E. Tusnády