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Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores

Molecular simulation, 2015-04, Vol.41 (5-6), p.414-422

2015

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Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study

Molecular simulation, 2014-05, Vol.40 (6), p.458-468

2014

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Design expert based optimization of the pyrolysis process for the production of cattle dung bio-oil and properties characterization

Scientific reports, 2024-04, Vol.14 (1), p.9421-9421, Article 9421

2024

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The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil-water system: an atomistic molecular dynamic study

Molecular physics, 2018-08, Vol.116 (15-16), p.2022-2031

2018

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Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (20), p.9897-9908

2022

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Study of ice nucleation on silver iodide surface with defects

Molecular physics, 2019-12, Vol.117 (23-24), p.3651-3663

2019

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Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations

Molecular simulation, 2019-03, Vol.45 (4-5), p.394-402

2019

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Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2

Journal of biomolecular structure & dynamics, 2022-08, Vol.40 (15), p.7002-7017

2022

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Surface phase transitions of multiple-site associating fluids

Molecular physics, 2012-06, Vol.110 (11-12), p.1241-1248

2012

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A comparative study of critical temperature estimation of atomic fluid and chain molecules using fourth-order Binder cumulant and simplified scaling laws

Molecular simulation, 2013-02, Vol.39 (2), p.154-159

2013

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Granular flow down a flexible inclined plane

EPJ Web of Conferences, 2017, Vol.140, p.3074

2017

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A review on graphene-based materials for removal of toxic pollutants from wastewater

Soft materials, 2020-07, Vol.18 (2-3), p.297-322

2020

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Vapour-liquid phase equilibria of simple fluids confined in patterned slit pores

Molecular simulation, 2011-04, Vol.37 (5), p.350-360

2011

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Validation of Salivary Markers, IL-1β, IL-8 and Lgals3bp for Detection of Oral Squamous Cell Carcinoma in an Indian Population

Scientific reports, 2020-04, Vol.10 (1), p.7365-7365, Article 7365

2020

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Interface mixing behaviour of Lennard-Jones FCC (100) thin film

Molecular physics, 2008-11, Vol.106 (21-23), p.2417-2423

2008

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Guest Editorial

Molecular simulation, 2015-04, Vol.41 (5-6), p.365-366

Singh, Jayant K.

2015

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Guest Editorial

Molecular simulation, 2015-04, Vol.41 (5-6), p.365-366

Singh, Jayant K.

2015

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Spectral characteristics of banded iron formations in Singhbhum craton, eastern India： Implications for hematite deposits on Mars

Di xue qian yuan., 2016-11, Vol.7 (6), p.927-936

2016

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Surface tension and vapour-liquid phase coexistence of variable-range hard-core attractive Yukawa fluids

Molecular simulation, 2009-09, Vol.35 (10-11), p.880-887

Singh, Jayant K.

2009

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The effects of interaction range, porosity and molecular association on the phase equilibrium of a fluid confined in a disordered porous media

Molecular physics, 2008-10, Vol.106 (19), p.2277-2288

2008

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Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate

Molecular physics, 2009-10, Vol.107 (20), p.2189-2200

2009

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STUDY OF DERMATOLOGICAL MANIFESTATION IN INTERNAL MALIGNANCIES

Journal of evidence based medicine and healthcare, 2015-12, Vol.2 (54), p.8792-8795

2015

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Molecular Simulation Study of the Vapor-Liquid Interfacial Behavior of a Dimer-forming Associating Fluid

Molecular simulation, 2004-05, Vol.30 (6), p.343-351

2004

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Self-organization in unstable thin liquid films: dynamics and patterns in systems displaying a secondary minimum

Journal of adhesion science and technology, 2000-01, Vol.14 (2), p.145-166

2000

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Designed and validated novel allele-specific primer to differentiate Kernel Row Number (KRN) in tropical field corn

PloS one, 2023-04, Vol.18 (4), p.e0284277

2023

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Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores

Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study

Design expert based optimization of the pyrolysis process for the production of cattle dung bio-oil and properties characterization

The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil-water system: an atomistic molecular dynamic study

Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors

Study of ice nucleation on silver iodide surface with defects

Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations

Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2

Surface phase transitions of multiple-site associating fluids

A comparative study of critical temperature estimation of atomic fluid and chain molecules using fourth-order Binder cumulant and simplified scaling laws

Granular flow down a flexible inclined plane

A review on graphene-based materials for removal of toxic pollutants from wastewater

Vapour-liquid phase equilibria of simple fluids confined in patterned slit pores

Validation of Salivary Markers, IL-1β, IL-8 and Lgals3bp for Detection of Oral Squamous Cell Carcinoma in an Indian Population

Interface mixing behaviour of Lennard-Jones FCC (100) thin film

Guest Editorial

Guest Editorial

Spectral characteristics of banded iron formations in Singhbhum craton, eastern India： Implications for hematite deposits on Mars

Surface tension and vapour-liquid phase coexistence of variable-range hard-core attractive Yukawa fluids

The effects of interaction range, porosity and molecular association on the phase equilibrium of a fluid confined in a disordered porous media

Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate

STUDY OF DERMATOLOGICAL MANIFESTATION IN INTERNAL MALIGNANCIES

Molecular Simulation Study of the Vapor-Liquid Interfacial Behavior of a Dimer-forming Associating Fluid

Self-organization in unstable thin liquid films: dynamics and patterns in systems displaying a secondary minimum

Designed and validated novel allele-specific primer to differentiate Kernel Row Number (KRN) in tropical field corn

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