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In-silico discovery of dual active molecule to restore synaptic wiring against autism spectrum disorder via HDAC2 and H3R inhibition

PloS one, 2022-07, Vol.17 (7), p.e0268139-e0268139

2022

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In Silico Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

mSystems, 2020-09, Vol.5 (5)

2020

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Gmx_qk: An Automated Protein/Protein–Ligand Complex Simulation Workflow Bridged to MM/PBSA, Based on Gromacs and Zenity-Dependent GUI for Beginners in MD Simulation Study

Journal of chemical information and modeling, 2023-05, Vol.63 (9), p.2603-2608

2023

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Computational attributes of protein kinase-C gamma C2-domain & virtual screening for small molecules: elucidation from meta-dynamics simulations & free-energy calculations

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (11), p.4981-4992

2023

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To evaluate the effect of endothelin receptor agonist IRL-1620 alone and in combination with donepezil in modulating neurodegeneration elicited by amyloid-β in rats

Experimental neurology, 2024-05, Vol.375, p.114720-114720, Article 114720

2024

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Unlocking the Therapeutic Potential: Sitagliptin’s Multifaceted Approach in Drug-Resistant Epilepsy through a Novel Mechanism Inhibiting Protein Kinase C‑γ and a Long-Term Potentiation Pathway

ACS pharmacology & translational science, 2024-06, Vol.7 (6), p.1856-1863

2024

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In-silico discovery of dual active molecule to restore synaptic wiring against autism spectrum disorder via HDAC2 and H3R inhibition

PloS one, 2022-01, Vol.17 (7), p.e0268139

2022

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Virtual screening and molecular dynamics simulation study of approved drugs as a binder to the linoleic acid binding site on spike protein of SARS-CoV-2 and double mutant (E484Q and L452R)

Indian journal of pharmacology, 2022-11, Vol.54 (6), p.431-442

2022

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italic toggle="yes">In Silico /italic> Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

mSystems, 2020-10, Vol.5 (5)

2020

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Pre-eminence and comparative analysis of skin and surface disinfectants: A systematic review to pave the way for SARS-CoV-2 prevention

International Journal of Clinical Virology, 2021-04, Vol.5 (1), p.47-53

2021

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Nanoparticles in Chronic Respiratory Diseases

Advanced Drug Delivery Strategies for Targeting Chronic Inflammatory Lung Diseases, 2022, p.143-170

2022

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The limiting behavior of the Riemann solution to the isentropic Euler system for logarithmic equation of state with a source term

Mathematical methods in the applied sciences, 2021-05, Vol.44 (8), p.7207-7227

2021

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Engineering Cu2ZnSnS4 grain boundaries for enhanced photovoltage generation at the Cu2ZnSnS4/TiO2 heterojunction: A nanoscale investigation using Kelvin probe force microscopy

Journal of applied physics, 2021-11, Vol.130 (19)

2021

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Self‐similar viscosity approach to the Riemann problem for a strictly hyperbolic system of conservation laws

Mathematical methods in the applied sciences, 2023-04, Vol.46 (6), p.7265-7284

2023

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The multiplication of distributions in the study of delta shock waves for zero-pressure gasdynamics system with energy conservation laws

Ricerche di matematica, 2023-11, Vol.72 (2), p.653-678

2023

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Delta shock wave as self-similar viscosity limit for a strictly hyperbolic system of conservation laws

Journal of mathematical physics, 2019-05, Vol.60 (5)

2019

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Structural stability of the Riemann solution for a strictly hyperbolic system of conservation laws with flux approximation

Communications on pure and applied analysis, 2019-03, Vol.18 (2), p.931-942

2019

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Delta shock wave and wave interactions in a thin film of a perfectly soluble anti-surfactant solution

Communications on pure and applied analysis, 2020-05, Vol.19 (5), p.2641-2653

2020

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Presence of preoperative Modic changes and severity of endplate damage score are independent risk factors for developing postoperative surgical site infection: a retrospective case-control study of 1124 patients

European spine journal, 2021-06, Vol.30 (6), p.1732-1743

2021

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Comparison of Dialysis Catheter Insertion and Complications Under Ultrasound Guidance with or without Fluoroscopic Assistance: A Randomized Study

Indian journal of nephrology, 2024-07, Vol.34 (4), p.363-368, Article 363

2024

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Engineering Cu2ZnSnS4 grain boundaries for enhanced photovoltage generation at the Cu2ZnSnS4/TiO2 heterojunction: A nanoscale investigation using Kelvin probe force microscopy

Journal of applied physics, 2021-11, Vol.130 (13)

2021

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YY1 Is Required for Germinal Center B Cell Development

PloS one, 2016-05, Vol.11 (5), p.e0155311-e0155311

2016

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Finite element analysis on clavicle bone during normal and extended range of motions under loading conditions

AIP Conference Proceedings, 2022, Vol.2405 (1)

2022

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Efficacy of continuous theta burst stimulation - repetitive trancranial magnetic stimulation on the orbito frontal cortex as an adjunct to naltrexone in patients of opioid use disorder and its correlation with serum BDNF levels: a sham-controlled study

Journal of addictive diseases, 2022-07, Vol.40 (3), p.373-381

2022

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Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity

Crystal growth & design, 2014-01, Vol.14 (1), p.236-239

2014

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In-silico discovery of dual active molecule to restore synaptic wiring against autism spectrum disorder via HDAC2 and H3R inhibition

In Silico Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

Gmx_qk: An Automated Protein/Protein–Ligand Complex Simulation Workflow Bridged to MM/PBSA, Based on Gromacs and Zenity-Dependent GUI for Beginners in MD Simulation Study

Computational attributes of protein kinase-C gamma C2-domain & virtual screening for small molecules: elucidation from meta-dynamics simulations & free-energy calculations

To evaluate the effect of endothelin receptor agonist IRL-1620 alone and in combination with donepezil in modulating neurodegeneration elicited by amyloid-β in rats

Unlocking the Therapeutic Potential: Sitagliptin’s Multifaceted Approach in Drug-Resistant Epilepsy through a Novel Mechanism Inhibiting Protein Kinase C‑γ and a Long-Term Potentiation Pathway

In-silico discovery of dual active molecule to restore synaptic wiring against autism spectrum disorder via HDAC2 and H3R inhibition

Virtual screening and molecular dynamics simulation study of approved drugs as a binder to the linoleic acid binding site on spike protein of SARS-CoV-2 and double mutant (E484Q and L452R)

italic toggle="yes">In Silico /italic> Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations

Pre-eminence and comparative analysis of skin and surface disinfectants: A systematic review to pave the way for SARS-CoV-2 prevention

Nanoparticles in Chronic Respiratory Diseases

The limiting behavior of the Riemann solution to the isentropic Euler system for logarithmic equation of state with a source term

Engineering Cu2ZnSnS4 grain boundaries for enhanced photovoltage generation at the Cu2ZnSnS4/TiO2 heterojunction: A nanoscale investigation using Kelvin probe force microscopy

Self‐similar viscosity approach to the Riemann problem for a strictly hyperbolic system of conservation laws

The multiplication of distributions in the study of delta shock waves for zero-pressure gasdynamics system with energy conservation laws

Delta shock wave as self-similar viscosity limit for a strictly hyperbolic system of conservation laws

Structural stability of the Riemann solution for a strictly hyperbolic system of conservation laws with flux approximation

Delta shock wave and wave interactions in a thin film of a perfectly soluble anti-surfactant solution

Presence of preoperative Modic changes and severity of endplate damage score are independent risk factors for developing postoperative surgical site infection: a retrospective case-control study of 1124 patients

Comparison of Dialysis Catheter Insertion and Complications Under Ultrasound Guidance with or without Fluoroscopic Assistance: A Randomized Study

Engineering Cu2ZnSnS4 grain boundaries for enhanced photovoltage generation at the Cu2ZnSnS4/TiO2 heterojunction: A nanoscale investigation using Kelvin probe force microscopy

YY1 Is Required for Germinal Center B Cell Development

Finite element analysis on clavicle bone during normal and extended range of motions under loading conditions

Efficacy of continuous theta burst stimulation - repetitive trancranial magnetic stimulation on the orbito frontal cortex as an adjunct to naltrexone in patients of opioid use disorder and its correlation with serum BDNF levels: a sham-controlled study

Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity

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