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Machine learning-assisted performance prediction and molecular design of all-small-molecule organic solar cells based on the Y6 acceptor

Solar energy, 2023-11, Vol.265, p.112115, Article 112115

2023

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Recent update on anti-dengue drug discovery

European journal of medicinal chemistry, 2019-08, Vol.176, p.431-455

2019

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Rational designing of peptide-ligand conjugates-based immunotherapy for the treatment of complicated malaria

Life sciences (1973), 2022-12, Vol.311, p.121121-121121, Article 121121

2022

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High throughput virtual screening (HTVS) of peptide library: Technological advancement in ligand discovery

European journal of medicinal chemistry, 2022-12, Vol.243, p.114766-114766, Article 114766

2022

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Infrared Small Target Detection via Nonconvex Tensor Fibered Rank Approximation

IEEE transactions on geoscience and remote sensing, 2022, Vol.60, p.1-21

2022

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Exploring flavonoids as potential inhibitors for Enterococcus faecium nicotinate nucleotide adenylyltransferase: An integration of in silico with empirical studies

Journal of molecular structure, 2025-02, Vol.1321, p.140149, Article 140149

2025

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Identification of novel natural product inhibitors of BRD4 using high throughput virtual screening and MD simulation

Journal of biomolecular structure & dynamics, 2023-12, Vol.ahead-of-print (ahead-of-print), p.1-13

2023

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MOLECULAR DOCKING DYNAMICS OF SELECTED BENZYLIDENE AMINO PHENYL ACETAMIDES AS TMK INHIBITORS USING HIGH THROUGHPUT VIRTUAL SCREENING (HTVS)

International journal of applied pharmaceutics, 2024-05, p.290-297

2024

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DESIGN FOR THE COLON CANCER INHIBITORS TARGETING THYMIDYLATE KINASE BY USING INSILICO STUDIES

International journal of applied pharmaceutics, 2024-05, p.312-319

2024

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Identification of potential inhibitors against Escherichia coli Mur D enzyme to combat rising drug resistance: an in-silico approach

Journal of biomolecular structure & dynamics, 2023-12, p.1-11

2023

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A high-throughput structural dynamics approach for identification of potential agonists of FFAR4 for type 2 diabetes mellitus therapy

Journal of biomolecular structure & dynamics, 2023-11, p.1-21

2023

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Visual characterization of pollution and moisture parameters of the polluted HTV silicone rubber surface with hyperspectral imaging technology

Journal of physics. D, Applied physics, 2023-08, Vol.56 (35), p.354004

2023

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Extended perilune rendezvous method for low Delta-V transition to NRHO for cargo transportation mission to gateway

Acta astronautica, 2024-11, Vol.224, p.89-98

2024

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Comparison of transfer trajectory to NRHO and operation plan for logistics resupply mission to gateway

Acta astronautica, 2024-10, Vol.223, p.577-584

2024

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Ginsenoside Rb2 inhibits epithelial-mesenchymal transition of colorectal cancer cells by suppressing TGF-β/Smad signaling

Phytomedicine (Stuttgart), 2019-03, Vol.56, p.126-135

2019

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An in-silico investigation of potential natural polyphenols for the targeting of COVID main protease inhibitor

Journal of King Saud University. Science, 2022-10, Vol.34 (7), p.102214-102214, Article 102214

2022

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Atosiban and Rutin exhibit anti-mycobacterial activity - An integrated computational and biophysical insight toward drug repurposing strategy against Mycobacterium tuberculosis targeting its essential enzyme HemD

International journal of biological macromolecules, 2023-12, Vol.253, p.127208-127208, Article 127208

2023

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Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease

Molecular diversity, 2024-04

2024

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Virtual screening and multilevel precision-based prioritisation of natural inhibitors targeting the ATPase domain of human DNA topoisomerase II alpha

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (24), p.15177-15195

2023

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An in silico approach for identification of lead compound as FtsZ inhibitor

Molecular diversity, 2024-05

2024

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GlmU Inhibitors as Promising Antibacterial Agents: A Review

Mini reviews in medicinal chemistry, 2023-01, Vol.23 (3), p.343-360

2023

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Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii

Journal of molecular graphics & modelling, 2020-11, Vol.100, p.107675-107675, Article 107675

2020

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Identification of a novel spirocyclic Nek2 inhibitor using high throughput virtual screening

Bioorganic & medicinal chemistry letters, 2023-05, Vol.88, p.129288-129288, Article 129288

2023

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Atomic level and structural understanding of natural ligands inhibiting Helicobacter pylori peptide deformylase through ligand and receptor based screening, SIFT, molecular dynamics and DFT - a structural computational approach

Journal of biomolecular structure & dynamics, 2023-05, Vol.41 (8), p.3440-3461

2023

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Molecular Dynamics Study on the Enhancement of Electrothermal Stability of HTV SR by Different Functional Groups of POSS

IEEE transactions on dielectrics and electrical insulation, 2024-09, p.1-1

2024

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Machine learning-assisted performance prediction and molecular design of all-small-molecule organic solar cells based on the Y6 acceptor

Recent update on anti-dengue drug discovery

Rational designing of peptide-ligand conjugates-based immunotherapy for the treatment of complicated malaria

High throughput virtual screening (HTVS) of peptide library: Technological advancement in ligand discovery

Infrared Small Target Detection via Nonconvex Tensor Fibered Rank Approximation

Exploring flavonoids as potential inhibitors for Enterococcus faecium nicotinate nucleotide adenylyltransferase: An integration of in silico with empirical studies

Identification of novel natural product inhibitors of BRD4 using high throughput virtual screening and MD simulation

MOLECULAR DOCKING DYNAMICS OF SELECTED BENZYLIDENE AMINO PHENYL ACETAMIDES AS TMK INHIBITORS USING HIGH THROUGHPUT VIRTUAL SCREENING (HTVS)

DESIGN FOR THE COLON CANCER INHIBITORS TARGETING THYMIDYLATE KINASE BY USING INSILICO STUDIES

Identification of potential inhibitors against Escherichia coli Mur D enzyme to combat rising drug resistance: an in-silico approach

A high-throughput structural dynamics approach for identification of potential agonists of FFAR4 for type 2 diabetes mellitus therapy

Visual characterization of pollution and moisture parameters of the polluted HTV silicone rubber surface with hyperspectral imaging technology

Extended perilune rendezvous method for low Delta-V transition to NRHO for cargo transportation mission to gateway

Comparison of transfer trajectory to NRHO and operation plan for logistics resupply mission to gateway

Ginsenoside Rb2 inhibits epithelial-mesenchymal transition of colorectal cancer cells by suppressing TGF-β/Smad signaling

An in-silico investigation of potential natural polyphenols for the targeting of COVID main protease inhibitor

Atosiban and Rutin exhibit anti-mycobacterial activity - An integrated computational and biophysical insight toward drug repurposing strategy against Mycobacterium tuberculosis targeting its essential enzyme HemD

Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease

Virtual screening and multilevel precision-based prioritisation of natural inhibitors targeting the ATPase domain of human DNA topoisomerase II alpha

An in silico approach for identification of lead compound as FtsZ inhibitor

GlmU Inhibitors as Promising Antibacterial Agents: A Review

Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii

Identification of a novel spirocyclic Nek2 inhibitor using high throughput virtual screening

Atomic level and structural understanding of natural ligands inhibiting Helicobacter pylori peptide deformylase through ligand and receptor based screening, SIFT, molecular dynamics and DFT - a structural computational approach

Molecular Dynamics Study on the Enhancement of Electrothermal Stability of HTV SR by Different Functional Groups of POSS

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