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HR-LCMS assisted phytochemical screening of antioxidant, antibacterial activity of Priva cordifolia (L.f) Druce plant and molecular docking approach

Results in Chemistry, 2023-01, Vol.5, p.100794, Article 100794

2023

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Insight into the conformational analysis of 3-phenyl-N-(3-(trimethoxysilyl) propyl)prop-2-en-1-imine (PTP) as a biocidal candidate: In-silico and quantum computational approach

Results in Chemistry, 2023-01, Vol.5, p.100685, Article 100685

2023

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Inapproximability of Clustering in Lp Metrics

2019 IEEE 60th Annual Symposium on Foundations of Computer Science (FOCS), 2019, p.519-539

2019

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Innovative nano-carriers in anticancer drug delivery-a comprehensive review

Bioorganic chemistry, 2019-04, Vol.85, p.325-336

2019

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Vision for medicine: Staphylococcus aureus biofilm war and unlocking key's for anti-biofilm drug development

Microbial pathogenesis, 2018-10, Vol.123, p.339-347

2018

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On Closest Pair in Euclidean Metric: Monochromatic is as Hard as Bichromatic

Combinatorica (Budapest. 1981), 2020-08, Vol.40 (4), p.539-573

2020

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Unprecedented 2D GNR-CoB nanocomposite for detection and degradation of malachite green – A computational prediction of degradation pathway and toxicity

Chemosphere (Oxford), 2022-01, Vol.287, p.132153-132153, Article 132153

2022

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Synthesis, crystal structure, in-silico ADMET, molecular docking and dynamics simulation studies of thiophene-chalcone analogues

Journal of molecular structure, 2022-01, Vol.1247, p.131365, Article 131365

2022

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Self-Assembled Lanthanide Supramolecular Helicates: Efficient Catalysts for Synthesis of Heterocyclic Scaffolds

Applied catalysis. A, General, 2024-07, Vol.682, p.119806, Article 119806

2024

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2-D polypseudo-rotaxane network in (4Z,N'Z)-N’-(amino(pyridine-2-yl)methyl)isonicotionhydrazonic (apminh) Pb(II) complex: Synthesis, Structural and Quantum computational studies

Journal of molecular structure, 2024-02, Vol.1297, p.136768, Article 136768

2024

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4,4,4-trifluoro-1-phenylbutane-1,3-dione metal [Cu(II) and Ni(II)] complexes as an superlative antibacterial agent against MRSA: Synthesis, structural quantum-chemical and molecular docking studies

Journal of molecular structure, 2021-11, Vol.1243, p.130774, Article 130774

2021

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N,N'-bis(2-bromobenzylidene)-2,2'-diaminodiphenyldisulfide (BBDD): Insights of crystal structure, DFT, QTAIM, PASS, ADMET and molecular docking studies

Journal of molecular structure, 2022-11, Vol.1268, p.133657, Article 133657

2022

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Chemoselective hydrosilylation of carboxylic acids using a phosphine-free ruthenium complex and phenylsilane

Journal of organometallic chemistry, 2022-04, Vol.963, p.122288, Article 122288

2022

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Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

Journal of molecular structure, 2018-04, Vol.1157, p.69-77

2018

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Non-covalent interactions orchestrated distinct molecular arrangements along different axes within the novel mixed ligand thorium metal complex: Experimental and theoretical insights

Journal of molecular structure, 2024-05, Vol.1303, p.137486, Article 137486

2024

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Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis

Journal of molecular structure, 2022-10, Vol.1266, p.133378, Article 133378

2022

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Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach

Journal of molecular structure, 2023-10, Vol.1289, p.135841, Article 135841

2023

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N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation

Journal of molecular structure, 2022-11, Vol.1267, p.133476, Article 133476

2022

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Synthesis and characterization of chitosan silver nanoparticle decorated with benzodioxane coupled piperazine as an effective anti-biofilm agent against MRSA: A validation of molecular docking and dynamics

International journal of biological macromolecules, 2021-06, Vol.181, p.540-551

2021

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An Efficient Representation for Filtrations of Simplicial Complexes

ACM transactions on algorithms, 2018-10, Vol.14 (4), p.1-21, Article 44

2018

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A new mixed-ligand mononuclear Co(II) complex derived from 4,4,4-trifluoro-1-phenylbutane-1,3-dione and 1,10-phenanthroline: Synthesis, structural elucidation and quantum-computational studies

Journal of molecular structure, 2024-03, Vol.1299, p.137169, Article 137169

2024

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Role of BPC@AgNPs in Bap-dependent multicellular behavior of clinically important methicillin-resistant Staphylococcus aureus (MRSA) biofilm adherence: A key virulence study

Microbial pathogenesis, 2018-10, Vol.123, p.275-284

2018

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Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies

International journal of biological macromolecules, 2018-03, Vol.108, p.489-502

2018

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Enchant OH⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations

Journal of molecular structure, 2022-09, Vol.1263, Article 133098

2022

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Enchant O H⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations

Journal of molecular structure, 2022-09, Vol.1263, p.133098, Article 133098

2022

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HR-LCMS assisted phytochemical screening of antioxidant, antibacterial activity of Priva cordifolia (L.f) Druce plant and molecular docking approach

Insight into the conformational analysis of 3-phenyl-N-(3-(trimethoxysilyl) propyl)prop-2-en-1-imine (PTP) as a biocidal candidate: In-silico and quantum computational approach

Inapproximability of Clustering in Lp Metrics

Innovative nano-carriers in anticancer drug delivery-a comprehensive review

Vision for medicine: Staphylococcus aureus biofilm war and unlocking key's for anti-biofilm drug development

On Closest Pair in Euclidean Metric: Monochromatic is as Hard as Bichromatic

Unprecedented 2D GNR-CoB nanocomposite for detection and degradation of malachite green – A computational prediction of degradation pathway and toxicity

Synthesis, crystal structure, in-silico ADMET, molecular docking and dynamics simulation studies of thiophene-chalcone analogues

Self-Assembled Lanthanide Supramolecular Helicates: Efficient Catalysts for Synthesis of Heterocyclic Scaffolds

2-D polypseudo-rotaxane network in (4Z,N'Z)-N’-(amino(pyridine-2-yl)methyl)isonicotionhydrazonic (apminh) Pb(II) complex: Synthesis, Structural and Quantum computational studies

4,4,4-trifluoro-1-phenylbutane-1,3-dione metal [Cu(II) and Ni(II)] complexes as an superlative antibacterial agent against MRSA: Synthesis, structural quantum-chemical and molecular docking studies

N,N'-bis(2-bromobenzylidene)-2,2'-diaminodiphenyldisulfide (BBDD): Insights of crystal structure, DFT, QTAIM, PASS, ADMET and molecular docking studies

Chemoselective hydrosilylation of carboxylic acids using a phosphine-free ruthenium complex and phenylsilane

Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

Non-covalent interactions orchestrated distinct molecular arrangements along different axes within the novel mixed ligand thorium metal complex: Experimental and theoretical insights

Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis

Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach

N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation

Synthesis and characterization of chitosan silver nanoparticle decorated with benzodioxane coupled piperazine as an effective anti-biofilm agent against MRSA: A validation of molecular docking and dynamics

An Efficient Representation for Filtrations of Simplicial Complexes

A new mixed-ligand mononuclear Co(II) complex derived from 4,4,4-trifluoro-1-phenylbutane-1,3-dione and 1,10-phenanthroline: Synthesis, structural elucidation and quantum-computational studies

Role of BPC@AgNPs in Bap-dependent multicellular behavior of clinically important methicillin-resistant Staphylococcus aureus (MRSA) biofilm adherence: A key virulence study

Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies

Enchant OH⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations

Enchant O H⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations

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