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Computational multi-target approach to target essential enzymes of Leishmania donovani using comparative molecular dynamic simulations and MMPBSA analysis

Phytochemical analysis, 2023-10, Vol.34 (7), p.842-854

2023

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Structural and functional premise of transport protein transthyretin in the sight of silver and zinc oxide nanoparticles through atomistic simulations

Inorganica Chimica Acta, 2024-04, Vol.563, p.121923, Article 121923

2024

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Review on the Drug Intolerance and Vaccine Development for the Leishmaniasis

Current drug targets, 2023-01, Vol.24 (13), p.1023

2023

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An integrative approach using systems biology, mutational analysis with molecular dynamics simulation to challenge the functionality of a target protein

Chemical biology & drug design, 2019-06, Vol.93 (6), p.1050-1060

2019

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Interfacial assembly at silver nanoparticle enhances the antibacterial efficacy of nisin

Free radical biology & medicine, 2016-12, Vol.101, p.434-445

2016

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Editorial: Computational approaches to build therapeutic paradigms targeting genes, proteins and pathways against neglected tropical diseases (NTDs)

Frontiers in genetics, 2023-05, Vol.14, p.1183034-1183034

Jha, Anupam Nath

2023

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The Law on Trafficking in Persons: The Quest for an Effective Model

Asian journal of international law (Cambridge, U.K.), 2018-01, Vol.8 (1), p.225-257

JHA, Anupam

2018

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Computational Analysis of the Silver Nanoparticle–Human Serum Albumin Complex

ACS omega, 2020-01, Vol.5 (1), p.170-178

2020

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In silico Metabolic Pathway Analysis Identifying Target Against Leishmaniasis - A Kinetic Modeling Approach

Frontiers in genetics, 2020-03, Vol.11, p.179-179

2020

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Molecular recognition of bio-active flavonoids quercetin and rutin by bovine hemoglobin: an overview of the binding mechanism, thermodynamics and structural aspects through multi-spectroscopic and molecular dynamics simulation studies

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (33), p.21668-21684

2018

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Identification and analysis of structurally critical fragments in HopS2

BMC bioinformatics, 2019-02, Vol.19 (Suppl 13), p.552-552, Article 552

2019

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In silico approaches and proportional odds model towards identifying selective ADAM17 inhibitors from anti-inflammatory natural molecules

Journal of molecular graphics & modelling, 2016-11, Vol.70, p.129-139

2016

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Amino acid interaction preferences in proteins

Protein science, 2010-03, Vol.19 (3), p.603-616

2010

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Deciphering the Interaction of 5,7‐Dihydroxyflavone with Hen‐Egg‐White Lysozyme through Multispectroscopic and Molecular Dynamics Simulation Approaches

ChemistrySelect (Weinheim), 2018-05, Vol.3 (17), p.4911-4922

2018

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Deciphering antiviral efficacy of malaria box compounds against malaria exacerbating viral pathogens- Epstein Barr virus and SARS-CoV-2, an in silico study

Medicine in drug discovery, 2022-12, Vol.16, p.100146-100146, Article 100146

2022

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A search for energy minimized sequences of proteins

PloS one, 2009-08, Vol.4 (8), p.e6684-e6684

2009

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In silico analysis of antiviral phytochemicals efficacy against Epstein-Barr virus glycoprotein H

Journal of biomolecular structure & dynamics, 2022-07, Vol.40 (12), p.5372-5385

2022

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Amino acid interaction preferences in helical membrane proteins

Protein engineering, design and selection, 2011-08, Vol.24 (8), p.579-588

2011

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Lactoferrin adsorption onto silver nanoparticle interface: Implications of corona on protein conformation, nanoparticle cytotoxicity and the formulation adjuvanticity

Chemical engineering journal (Lausanne, Switzerland : 1996), 2019-04, Vol.361, p.470-484

2019

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A Comprehensive Review of Drug Repurposing Strategies against Known Drug Targets of COVID-19

COVID, 2022-02, Vol.2 (2), p.148-167

2022

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Molecular scaffold recognition of drug molecules against essential genes of Leishmania donovani using biocomputing approach

South African journal of botany, 2023-11, Vol.162, p.52-63

2023

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Quorum Quenching: A Drug Discovery Approach Against Pseudomonas aeruginosa

Microbiological research, 2022-11, Vol.264, p.127173-127173, Article 127173

2022

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Exploring the interaction of bioactive kaempferol with serum albumin, lysozyme and hemoglobin: A biophysical investigation using multi-spectroscopic, docking and molecular dynamics simulation studies

Journal of photochemistry and photobiology. B, Biology, 2020-04, Vol.205, p.111825-111825, Article 111825

2020

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An application of neutrosophic logic on an inventory model with two-level partial trade credit policy for time-dependent perishable products

Soft computing (Berlin, Germany), 2023-04, Vol.27 (8), p.4795-4822

2023

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Insulin adsorption onto zinc oxide nanoparticle mediates conformational rearrangement into amyloid-prone structure with enhanced cytotoxic propensity

Biochimica et biophysica acta. General subjects, 2019-01, Vol.1863 (1), p.153-166

2019

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Computational multi-target approach to target essential enzymes of Leishmania donovani using comparative molecular dynamic simulations and MMPBSA analysis

Structural and functional premise of transport protein transthyretin in the sight of silver and zinc oxide nanoparticles through atomistic simulations

Review on the Drug Intolerance and Vaccine Development for the Leishmaniasis

An integrative approach using systems biology, mutational analysis with molecular dynamics simulation to challenge the functionality of a target protein

Interfacial assembly at silver nanoparticle enhances the antibacterial efficacy of nisin

Editorial: Computational approaches to build therapeutic paradigms targeting genes, proteins and pathways against neglected tropical diseases (NTDs)

The Law on Trafficking in Persons: The Quest for an Effective Model

Computational Analysis of the Silver Nanoparticle–Human Serum Albumin Complex

In silico Metabolic Pathway Analysis Identifying Target Against Leishmaniasis - A Kinetic Modeling Approach

Molecular recognition of bio-active flavonoids quercetin and rutin by bovine hemoglobin: an overview of the binding mechanism, thermodynamics and structural aspects through multi-spectroscopic and molecular dynamics simulation studies

Identification and analysis of structurally critical fragments in HopS2

In silico approaches and proportional odds model towards identifying selective ADAM17 inhibitors from anti-inflammatory natural molecules

Amino acid interaction preferences in proteins

Deciphering the Interaction of 5,7‐Dihydroxyflavone with Hen‐Egg‐White Lysozyme through Multispectroscopic and Molecular Dynamics Simulation Approaches

Deciphering antiviral efficacy of malaria box compounds against malaria exacerbating viral pathogens- Epstein Barr virus and SARS-CoV-2, an in silico study

A search for energy minimized sequences of proteins

In silico analysis of antiviral phytochemicals efficacy against Epstein-Barr virus glycoprotein H

Amino acid interaction preferences in helical membrane proteins

Lactoferrin adsorption onto silver nanoparticle interface: Implications of corona on protein conformation, nanoparticle cytotoxicity and the formulation adjuvanticity

A Comprehensive Review of Drug Repurposing Strategies against Known Drug Targets of COVID-19

Molecular scaffold recognition of drug molecules against essential genes of Leishmania donovani using biocomputing approach

Quorum Quenching: A Drug Discovery Approach Against Pseudomonas aeruginosa

Exploring the interaction of bioactive kaempferol with serum albumin, lysozyme and hemoglobin: A biophysical investigation using multi-spectroscopic, docking and molecular dynamics simulation studies

An application of neutrosophic logic on an inventory model with two-level partial trade credit policy for time-dependent perishable products

Insulin adsorption onto zinc oxide nanoparticle mediates conformational rearrangement into amyloid-prone structure with enhanced cytotoxic propensity

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