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| Open AccessIn silico analysis of epitope-based vaccine candidate against tuberculosis using reverse vaccinology
- Shaheen Bibi
- , Inayat Ullah
- & Shiquan Niu
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| Open AccessStructural insights and evaluation of the potential impact of missense variants on the interactions of SLIT2 with ROBO1/4 in cancer progression
- Debmalya Sengupta
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- & Mainak Sengupta
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| Open AccessEnhancing protein backbone angle prediction by using simpler models of deep neural networks
- Fereshteh Mataeimoghadam
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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 AccessDistribution of disease-causing germline mutations in coiled-coils implies an important role of their N-terminal region
- Zsofia E. Kalman
- , Bálint Mészáros
- & Laszlo Dobson
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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 AccessSimulations on the dual effects of flavonoids as suppressors of Aβ42 fibrillogenesis and destabilizers of mature fibrils
- Sahar Andarzi Gargari
- & Abolfazl Barzegar
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| Open AccessDesigning a multi-epitope peptide based vaccine against SARS-CoV-2
- Abhishek Singh
- , Mukesh Thakur
- & Kailash Chandra
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| Open AccessThe E3 ubiquitin-protein ligase MDM2 is a novel interactor of the von Hippel–Lindau tumor suppressor
- Antonella Falconieri
- , Giovanni Minervini
- & Silvio C. E. Tosatto
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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 AccessAnalysis of the SARS-CoV-2 spike protein glycan shield reveals implications for immune recognition
- Oliver C. Grant
- , David Montgomery
- & Robert J. Woods
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| Open AccessAntibody-protein binding and conformational changes: identifying allosteric signalling pathways to engineer a better effector response
- Mohammed M. Al Qaraghuli
- , Karina Kubiak-Ossowska
- & Paul A. Mulheran
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| Open AccessIdentification and characterization of cytosolic malate dehydrogenase from the liver fluke Fasciola gigantica
- Purna Bahadur Chetri
- , Rohit Shukla
- & Timir Tripathi
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| Open AccessA computational structural study on the DNA-protecting role of the tardigrade-unique Dsup protein
- Marina Mínguez-Toral
- , Bruno Cuevas-Zuviría
- & Luis F. Pacios
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| Open AccessZinc-mediated conformational preselection mechanism in the allosteric control of DNA binding to the zinc transcriptional regulator (ZitR)
- Xinheng He
- , Duan Ni
- & Shaoyong Lu
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| Open AccessStructure/activity virtual screening and in vitro testing of small molecule inhibitors of 8-hydroxy-5-deazaflavin:NADPH oxidoreductase from gut methanogenic bacteria
- Massimiliano Cuccioloni
- , Laura Bonfili
- & Mauro Angeletti
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| Open AccessThe AAA + ATPase valosin-containing protein (VCP)/p97/Cdc48 interaction network in Leishmania
- Bruno Guedes Aguiar
- , Carole Dumas
- & Barbara Papadopoulou
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| Open AccessInvestigating the pathogenic SNPs in BLM helicase and their biological consequences by computational approach
- Faisal A. Alzahrani
- , Firoz Ahmed
- & Mohammad Sarwar Jamal
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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 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 AccessPATH - Prediction of Amyloidogenicity by Threading and Machine Learning
- Jakub W. Wojciechowski
- & Małgorzata Kotulska
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| Open AccessMutually exclusive locales for N-linked glycans and disorder in human glycoproteins
- Shyamili Goutham
- , Indu Kumari
- & Ramray Bhat
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| Open AccessThe First 3D Model of the Full-Length KIT Cytoplasmic Domain Reveals a New Look for an Old Receptor
- François Inizan
- , Myriam Hanna
- & Luba Tchertanov
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| Open AccessStructural and evolutionary analyses of the Plasmodium falciparum chloroquine resistance transporter
- Romain Coppée
- , Audrey Sabbagh
- & Jérôme Clain
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| Open AccessNeighborhood Preference of Amino Acids in Protein Structures and its Applications in Protein Structure Assessment
- Siyuan Liu
- , Xilun Xiang
- & Haiguang Liu
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| Open AccessDeep Learning to Predict Protein Backbone Structure from High-Resolution Cryo-EM Density Maps
- Dong Si
- , Spencer A. Moritz
- & Jianlin Cheng
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| Open AccessEvaluating the significance of contact maps in low-homology protein modeling using contact-assisted threading
- Sutanu Bhattacharya
- & Debswapna Bhattacharya
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| Open AccessComputational modelling of wet adhesive mussel foot proteins (Bivalvia): Insights into the evolutionary convolution in diverse perspectives
- P. P. Anand
- & Y. Shibu Vardhanan
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| Open AccessDiscovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease
- Shiv Bharadwaj
- , Kyung Eun Lee
- & Sang Gu Kang
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| Open AccessStructureDistiller: Structural relevance scoring identifies the most informative entries of a contact map
- Sebastian Bittrich
- , Michael Schroeder
- & Dirk Labudde
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| Open AccessLigand-Induced Conformational Dynamics of A Tyramine Receptor from Sitophilus oryzae
- Mac Kevin E. Braza
- , Jerrica Dominique N. Gazmen
- & Ricky B. Nellas
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| Open AccessStructural analysis of human SEPHS2 protein, a selenocysteine machinery component, over-expressed in triple negative breast cancer
- Carmine Nunziata
- , Andrea Polo
- & Susan Costantini
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| Open AccessRigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)
- Natesh Singh
- , Bruno O. Villoutreix
- & Gerhard F. Ecker
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| Open AccessMARK4 protein can explore the active-like conformations in its non-phosphorylated state
- Sajjad Ahrari
- , Fatemeh Khosravi
- & Amir Savardashtaki
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| Open AccessBiosynthesis of Hyaluronic acid polymer: Dissecting the role of sub structural elements of hyaluronan synthase
- Garima Agarwal
- , Krishnan K. V.
- & Guhan Jayaraman
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| Open AccessDeeper Profiles and Cascaded Recurrent and Convolutional Neural Networks for state-of-the-art Protein Secondary Structure Prediction
- Mirko Torrisi
- , Manaz Kaleel
- & Gianluca Pollastri
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| Open AccessThree dimensional structures of putative, primitive proteins to investigate the origin of homochirality
- Akifumi Oda
- , Tomoki Nakayoshi
- & Eiji Kurimoto
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Article
| Open AccessDifferential binding affinity of tau repeat region R2 with neuronal-specific β-tubulin isotypes
- Vishwambhar Vishnu Bhandare
- , Bajarang Vasant Kumbhar
- & Ambarish Kunwar
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| Open AccessTryptophan Oxidation in the UQCRC1 Subunit of Mitochondrial Complex III (Ubiquinol-Cytochrome C Reductase) in a Mouse Model of Myodegeneration Causes Large Structural Changes in the Complex: A Molecular Dynamics Simulation Study
- Sruthi Unni
- , S. Thiyagarajan
- & B. Padmanabhan
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| Open AccessDual binding mode of “bitter sugars” to their human bitter taste receptor target
- Fabrizio Fierro
- , Alejandro Giorgetti
- & Mercedes Alfonso-Prieto
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Article
| Open AccessPrediction and characterisation of lantibiotic structures with molecular modelling and molecular dynamics simulations
- Hirak Jyoti Chakraborty
- , Aditi Gangopadhyay
- & Abhijit Datta
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| Open AccessEssential Mycoplasma Glycolipid Synthase Adheres to the Cell Membrane by Means of an Amphipathic Helix
- Javier Romero-García
- , Xevi Biarnés
- & Antoni Planas
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Article
| Open AccessStructural basis of βTrCP1-associated GLI3 processing
- Shagufta Shafique
- & Sajid Rashid
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Article
| Open AccessPiPred – a deep-learning method for prediction of π-helices in protein sequences
- Jan Ludwiczak
- , Aleksander Winski
- & Stanislaw Dunin-Horkawicz
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Article
| Open AccessStructural prerequisites for CRM1-dependent nuclear export signaling peptides: accessibility, adapting conformation, and the stability at the binding site
- Yoonji Lee
- , Jimin Pei
- & Nick V. Grishin
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| Open AccessIdentification of a Novel Anti-cancer Protein, FIP-bbo, from Botryobasidium botryosum and Protein Structure Analysis using Molecular Dynamic Simulation
- Ying Wang
- , Ying Nv Gao
- & Da Peng Bao
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Article
| Open AccessMolecular Dynamics Simulations of the Allosteric Modulation of the Adenosine A2a Receptor by a Mini-G Protein
- Pedro Renault
- , Maxime Louet
- & Nicolas Floquet
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| Open AccessDesigning novel possible kinase inhibitor derivatives as therapeutics against Mycobacterium tuberculosis: An in silico study
- Mohd Shahbaaz
- , Anati Nkaule
- & Alan Christoffels
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Article
| Open AccessPredicting protein-peptide interaction sites using distant protein complexes as structural templates
- Isak Johansson-Åkhe
- , Claudio Mirabello
- & Björn Wallner