Shama Khan to Molecular Dynamics Simulation
This is a "connection" page, showing publications Shama Khan has written about Molecular Dynamics Simulation.
Connection Strength
2,179
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Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes. J Mol Model. 2021 Jan 25; 27(2):49.
Score: 0,726
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Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development. J Biomol Struct Dyn. 2024 Feb-Mar; 42(4):1846-1857.
Score: 0,212
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Structure-based identification of potential SARS-CoV-2 main protease inhibitors. J Biomol Struct Dyn. 2022 05; 40(8):3595-3608.
Score: 0,179
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Selective Covalent Inhibition of "Allosteric Cys121" Distort the Binding of PTP1B Enzyme: A Novel Therapeutic Approach for Cancer Treatment. Cell Biochem Biophys. 2019 Sep; 77(3):203-211.
Score: 0,164
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Exploring the Structural Mechanism of Covalently Bound E3 Ubiquitin Ligase: Catalytic or Allosteric Inhibition? Protein J. 2018 12; 37(6):500-509.
Score: 0,156
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Covalent simulations of covalent/irreversible enzyme inhibition in drug discovery: a reliable technical protocol. Future Med Chem. 2018 10; 10(19):2265-2275.
Score: 0,154
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Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy. Future Med Chem. 2018 05 01; 10(9):1003-1015.
Score: 0,149
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Classification and Functional Analyses of Putative Conserved Proteins from Chlamydophila pneumoniae CWL029. Interdiscip Sci. 2017 Mar; 9(1):96-106.
Score: 0,127
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Thymoquinone, artemisinin, and thymol attenuate proliferation of lung cancer cells as Sphingosine kinase 1 inhibitors. Biomed Pharmacother. 2024 Aug; 177:117123.
Score: 0,058
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MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease. Int J Mol Sci. 2021 Oct 12; 22(20).
Score: 0,048
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Impact of single amino acid substitution on the structure and function of TANK-binding kinase-1. J Cell Biochem. 2021 10; 122(10):1475-1490.
Score: 0,047
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Structure-based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases. J Cell Biochem. 2021 10; 122(10):1445-1459.
Score: 0,047
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Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling. Molecules. 2019 Aug 28; 24(17).
Score: 0,041
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Distinguishing the optimal binding mechanism of an E3 ubiquitin ligase: Covalent versus noncovalent inhibition. J Cell Biochem. 2019 08; 120(8):12859-12869.
Score: 0,040
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PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4. J Mol Graph Model. 2015 Nov; 62:245-252.
Score: 0,031