464 results on '"Jeyakanthan, Jeyaraman"'
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52. Molecular Docking, Molecular Dynamics Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of Vibrio harveyi and Its Biological Evaluation
53. WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches
54. Prospects of Covalent Approaches in Drug Discovery: An Overview
55. Small peptide inhibitor from the sequence of RUNX3 disrupts PAK1–RUNX3 interaction and abrogates its phosphorylation-dependent oncogenic function
56. Regenerative marine waste towards CaCO3 nanoformulation for Alzheimer's therapy
57. Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches.
58. Protective effect of 5-hydroxy-3′,4′,7-trimethoxyflavone against inflammation induced by lipopolysaccharide in RAW 264.7 macrophage: in vitro study and in silico validation
59. Repurposing of Doxycycline to Hinder the Viral Replication of SARS-CoV-2: From in silico to in vitro Validation
60. In silico evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2
61. Water Mapping and Scoring Approaches to Predict the Role of Hydration Sites in the Binding Affinity of PAK1 Inhibitors
62. Functional significance of mouse seminal vesicle sulfhydryl oxidase on sperm capacitation in vitro
63. Structural Snapshots of Mycobacterium Tuberculosis Enolase Reveal Dual Mode of 2pg Binding and its Implication in Enzyme Catalysis
64. Insights into Exogenous Tryptophan-Mediated Allosteric Communication and Helical Transition of TRP Protein for Transcription Regulation
65. Structural Modeling of
66. Light-Dependent Regulation of Structural Flexibility in a Photochromic Fluorescent Protein
67. Meet the Editorial Board Member
68. In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19
69. Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis
70. Characterization of the NiRAN domain from RNA-dependent RNA polymerase provides insights into a potential therapeutic target against SARS-CoV-2
71. Molecular dynamics simulation of Toxin‐Antitoxin (TA) system in Acinetobacter baumannii to explore the novel mechanism for inhibition of cell wall biosynthesis: Zeta Toxin as an effective therapeutic target
72. Identifying dual leucine zipper kinase (DLK) inhibitors using e-pharamacophore screening and molecular docking
73. Identification of Pak1 inhibitors using water thermodynamic analysis
74. Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
75. Studies on the diversity of macrofungus in Kodaikanal region of Western Ghats, Tamil Nadu, India
76. Computational identification of potential lead molecules targeting rho receptor of Neisseria gonorrhoeae.
77. Post-acute sequelae of SARS-CoV-2 Delta variant infection: A report of three cases in a single family.
78. Atomistic simulation on flavonoids derivatives as potential inhibitors of bacterial gyrase of Staphylococcus aureus.
79. Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease
80. Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein–Inhibitor Complexes in Relevance to Developing Parkinson’s Therapeutics
81. Correction: Computational investigation of the increased virulence and pathogenesis of SARS-CoV-2 lineage B.1.1.7
82. Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
83. Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the [beta]-subunit
84. Molecular evolution, binding site interpretation and functional divergence of aspartate semialdehyde dehydrogenase.
85. Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches.
86. Computational identification of potential lead molecules targeting rho receptor of Neisseria gonorrhoeae
87. Small peptide inhibitor from the sequence of RUNX3 disrupts PAK1-RUNX3 interaction and abrogates its phosphorylation-dependent oncogenic function
88. Experimental and Computational Methods to Determine Protein Structure and Stability
89. Structural insights on binding mechanism of CAD complexes (CPSase, ATCase and DHOase)
90. In silico evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2
91. Atomistic simulation on flavonoids derivatives as potential inhibitors of bacterial gyrase of Staphylococcus aureus
92. Identification of potential drug target in malarial disease using molecular docking analysis
93. Molecular evolution, binding site interpretation and functional divergence of aspartate semialdehyde dehydrogenase
94. Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches
95. Structural and functional characterization of oligomeric states of proteins in RecFOR pathway
96. Targeting VEGFR2 protein by marine Streptomyces globosus VITLGK011‐derived compound BECA: An in vitro and in silico analysis
97. In silicoapproach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer
98. Phyto-Engineered Gold Nanoparticles (AuNPs) with Potential Antibacterial, Antioxidant, and Wound Healing Activities Under in vitro and in vivo Conditions
99. Effect of molecular association and reactivity on substitution in chromium(III)–salprn complexes
100. In silico approach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer.
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