Comparative protein structure modeling using MODELLER

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Items 401–500 of 710

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4. A Conserved Class II Type Thioester Domain-Containing Adhesin Is Required for Efficient Conjugation in Bacillus subtilis
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6. A structure-based approach for the development of a bicyclic peptide acting as a miniaturized anti-CD55 antibody
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8. Nanomolar, Noncovalent Antagonism of Hedgehog Cholesterolysis: Exception to the “Irreversibility Rule” for Protein Autoprocessing Inhibition
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9. Molecular modeling studies of some phytoligands from Ficus sycomorus fraction as potential inhibitors of cytochrome CYP6P3 enzyme of Anopheles coluzzii
   Abba Babandi, Chioma Assumpta Anosike, L.U.S. Ezeanyika, Kemal Yelekçi, Abdullahi İbrahim Uba · 2022 · Jordan Journal of Pharmaceutical Sciences
10. Integrating diverse layers of omic data to identify novel drug targets in Listeria monocytogenes
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11. DockOpt: A Tool for Automatic Optimization of Docking Models
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13. Organization of ATP-gated P2X1 receptor intracellular termini in apo and desensitized states
    Alistair G. Fryatt, Sudad A. Dayl, Anastasios Stavrou, Ralf Schmid, Richard J. Evans · 2019 · The Journal of General Physiology
14. Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS)
    Hristina R. Zhekova, Toshie Sakuma, Ryan Johnson, Susanna C. Concilio, Patrycja J. Lech, Igor Zdravkovic, Mirna Damergi, Lukkana Suksanpaisan, Kah-Whye Peng, Stephen J. Russell et al. · 2020 · Journal of Chemical Information and Modeling
15. Differential Expression of Putative Ornithodoros turicata Defensins Mediated by Tick Feeding
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16. Identification of a SARS-like bat coronavirus that shares structural features with the spike glycoprotein receptor-binding domain of SARS-CoV-2
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17. Involvement of Human Multidrug and Toxic Compound Extrusion (MATE) Transporters in Testosterone Transport
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18. New tyrosinases with putative action against contaminants of emerging concern
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19. Computational Analysis of Binding Interactions between the Ryanodine Receptor Type 2 and Calmodulin
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20. Bioinformatics Approaches for Genomics and Post Genomics Applications of Anticancer Plants
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21. Identification of a new regulation pathway of EGFR and E-cadherin dynamics
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22. Induction of the Inflammasome by the SARS‐CoV‐2 Accessory Protein ORF9b, Abrogated by Small‐Molecule ORF9b Homodimerization Inhibitors
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23. Structural basis of disease mutation and substrate recognition by the human SLC2A9 transporter
    Nitesh Khandelwal, Meghna Gupta, Paras Kumar, Sree Ganesh Balasubramani, Ignacia Echeverria, Robert Michael Stroud · 2025 · Proceedings of the National Academy of Sciences
24. Structural plasticity of the FOXO-DBD:p53-TAD interaction
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25. Improving B-cell epitope prediction
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26. Elucidating the binding mechanism of SARS-CoV-2 NSP6-TBK1 and structure-based designing of phytocompounds inhibitors for instigating the host immune response
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27. Coupling the role of lipids to the conformational dynamics of the ABC transporter P-glycoprotein
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28. A fully human IgG1 antibody targeting connexin 32 extracellular domain blocks CMTX1 hemichannel dysfunction in an in vitro model
    Abraham Tettey‐Matey, Viola Donati, Chiara Cimmino, Chiara Di Pietro, Damiano Buratto, Mariateresa Panarelli, Alberto Reale, Arianna Calistri, Maria Vittoria Fornaini, Ruhong Zhou et al. · 2024 · Cell Communication and Signaling
29. Molecular mechanism of Mad2 conformational conversion promoted by the Mad2 ‐interaction motif of Cdc20
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30. Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations
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31. Towards an Understanding of Oxidative Damage in an α-L-Arabinofuranosidase of Trichoderma reesei: a Molecular Dynamics Approach
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32. Molecular dynamics simulation of α‐gliadin in ethanol/aqueous organic solvents
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33. Protocol for predicting drug-resistant protein mutations to an ERK2 inhibitor using RESISTOR
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34. Phylogenetic and Evolutionary Analysis of Plant Small RNA 2′-O-Methyltransferase (HEN1) Protein Family
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35. A mono-objective evolutionary algorithm for Protein Structure Prediction in structural and energetic contexts
    Rodrigo Antonio Faccioli, Ivan Nunes da Silva, Leandro Oliveira Bortot, Alexandre C. B. Delbem · 2012 · IEEE Congress on Evolutionary Computation (CEC)
36. Spectroscopic and calorimetric assays reveal dependence on dCTP and two metals (Zn2++ Mg2+) for enzymatic activity of Schistosoma mansoni deoxycytidylate (dCMP) deaminase
    Jéssica Fernandes Scortecci, Vitor Hugo Balasco Serrão, Juliana Cheleski, Juliana Roberta Torini, Larissa Romanello, Ricardo Cassiano Demarco, H.M. Pereira · 2017 · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
37. Effect of catalytic subunit phosphorylation on the properties of SnRK1 from Phaseolus vulgaris embryos
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38. DHH pathogenic variants involved in 46,XY disorders of sex development differentially impact protein self-cleavage and structural conformation
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39. QM/MM Study of Bioluminescent Systems
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40. Genomic andin vitropharmacodynamic analysis of rifampicin resistance in multidrug‐resistant canineStaphylococcus pseudintermediusisolates
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41. Structural mechanism for regulation of Rab7 by site-specific monoubiquitination
    Jaeeun Jung, Jiseok Baek, Kun Tae, Donghyuk Shin, Seungsu Han, Wonjin Yang, Wookyung Yu, Su Myung Jung, Seok Hee Park, Cheol Yong Choi et al. · 2021 · International Journal of Biological Macromolecules
42. The catalytic mechanism of the mitochondrial methylenetetrahydrofolate dehydrogenase/cyclohydrolase (MTHFD2)
    Li Na Zhao, Philipp Kaldis · 2022 · PLoS Computational Biology
43. Building a Hybrid Physical-Statistical Classifier for Predicting the Effect of Variants Related to Protein-Drug Interactions
    Bo Wang, Chengfei Yan, Shaoke Lou, Prashant S. Emani, Bian Li, Min Xu, Xiangmeng Kong, William U. Meyerson, Yucheng Yang, Donghoon Lee et al. · 2019 · Structure
44. The evolutionary history of topological variations in the CPA/AT transporters
    Govindarajan Sudha, Claudio Bassot, John Lamb, Nanjiang Shu, Yan Hong Huang, Arne Elofsson · 2021 · PLoS Computational Biology
45. Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
    Sarah V. Faull, Andy M C Lau, Chloé Martens, Zainab Ahdash, Hugo Yébenes, Carla Schmidt, Fabienne Beuron, Nora Cronin, Edward P. Morris, Argyris Politis · 2018 · bioRxiv (Cold Spring Harbor Laboratory)
46. A two-step clockwork mechanism opens a proteo-lipidic pore in PIEZO2 channels
    Shu Li, Tharaka Darshana Wijerathne, Aashish Bhatt, Wenjuan Jiang, Jérôme J. Lacroix, Wei Han, Yun Luo · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
47. Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b 214-222 by combinatorial peptide library screening
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48. Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras
    Pablo Fernández-Millán, Sergi Vázquez-Monteagudo, Ester Boix, Guillem Prats-Ejarque · 2022 · Frontiers in Molecular Biosciences
49. Altered Protein Dynamics and a More Reactive Catalytic Cysteine in a Neurodegeneration-associated UCHL1 Mutant
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50. Binding characteristics of the doxepin E/Z‐isomers to the histamine H1 receptor revealed by receptor‐bound ligand analysis and molecular dynamics study
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51. Review and Current Perspectives on DNA Topoisomerase I and II Enzymes of Fungi as Study Models for the Development of New Antifungal Drugs
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52. Uncovering the Molecular Interactions Underlying MBD2 and MBD3 Phase Separation
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53. Identification of the Active Principle Conferring Anti-Inflammatory and Antinociceptive Properties in Bamboo Plant
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54. Prediction and Modeling of Protein–Protein Interactions Using “Spotted” Peptides with a Template-Based Approach
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55. Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions
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56. Recombinant cellobiose dehydrogenase from Thermothelomyces thermophilus: Its functional characterization and applicability in cellobionic acid production
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57. Ebola Virus Matrix Protein VP40 Single Mutations G198R and G201R Significantly Enhance Plasma Membrane Localization
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58. Prostruc: an open-source tool for 3D structure prediction using homology modeling
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59. In vitro and in silico Analysis to Identify Novel Lead Compound from Morinda tinctoria fruit Against Breast Cancer
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60. Mutation Edgotype Drives Fitness Effect in Human
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61. A combined in silico and in vivo approach to the structure-function annotation of SPD-2 provides mechanistic insight into its functional diversity
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63. Energy landscape of the domain movement in Staphylococcus aureus UDP-N-acetylglucosamine 2-epimerase
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64. iBRAB: In silico based-designed broad-spectrum Fab against H1N1 influenza A virus
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65. A New Zebrafish Model for Pseudoxanthoma Elasticum
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67. Prediction of Protein-Protein Binding Affinities from Unbound Protein Structures.
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69. Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies
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72. Structure-Based Virtual Screening ofHelicobacter pyloriSecA Inhibitors
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73. Effects and risk assessment of halogenated bisphenol A derivatives on human follicle stimulating hormone receptor: An interdisciplinary study
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74. Computational Modelling for Formulation Design
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80. Insights into the binding mechanism between α‐TOH and CYP4F2: A homology modeling, molecular docking, and molecular dynamics simulation study
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81. Uncovering the clinical relevance of unclassified variants in DNA repair genes: a focus on BRCA negative Tunisian cancer families
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82. Computation-Guided Rational Design of Cysteine-Less Protein Variants in Engineered hCGL
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92. Discovery of receptor‐ligand interfaces in the immunoglobulin superfamily
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93. Homology Modeling of Class A G-Protein-Coupled Receptors in the Age of the Structure Boom
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95. Snake Venom Metalloproteinases
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96. Designing and characterization of a SARS-CoV-2 immunogen with receptor binding motif grafted on a protein scaffold: An epitope-focused vaccine approach
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97. In silico data analyses of the hotspot mutations of CHM gene in choroideremia disease
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98. Revisiting the use of dioxane as a reference compound for determination of the hydrodynamic radius of proteins by pulsed field gradient NMR spectroscopy
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99. Computational simulations of microalgae-derived bioactive compounds as a novel inhibitor against B-Raf V600E driven melanoma
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