Durgesh Kumar

发表

Metal NPs (Au, Ag, and Cu): Synthesis, Stabilization, and Their Role in Green Chemistry and Drug Delivery

R. Chandra, G. K. Mehrotra, P. Singh, 2017 .

A review targeting the infection by CHIKV using computational and experimental approaches

R. Chandra, P. Singh, P. Jain, 2021, Journal of biomolecular structure & dynamics.

Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation

R. Chandra, Prashant Singh, Dhiraj Kumar, 2020, Journal of biomolecular structure & dynamics.

In-silico prediction of novel drug-target complex of nsp3 of CHIKV through molecular dynamic simulation

P. Singh, K. Kumari, Rajan Patel, 2020, Heliyon.

DFT and docking studies of designed conjugates of noscapines & repurposing drugs: promising inhibitors of main protease of SARS-CoV-2 and falcipan-2

R. Chandra, P. Singh, K. Kumari, 2020, Journal of biomolecular structure & dynamics.

Selective Docking of Pyranooxazoles Against nsP2 of CHIKV Eluted Through Isothermally and Non‐Isothermally MD simulations

R. Chandra, P. Singh, K. Kumari, 2020 .

Development of a theoretical model for the inhibition of nsP3 of Chikungunya virus using pyranooxazoles

P. Singh, K. Kumari, Durgesh Kumar, 2019, Journal of biomolecular structure & dynamics.

Promising Acyclovir and its derivatives to inhibit the protease of SARS-CoV-2: Molecular Docking and Molecular Dynamics simulations

P. Singh, K. Kumari, I. Bahadur, 2020 .

Homology modeling, Molecular Dynamic Simulation and in silico screening of Activator for the Intensification of human sirtuin type 1 (SIRT1) by novel 1, 3, 4-thiadiazole derivatives-A potential antiaging approach

S. Saha, Durgesh Kumar, A. Sahdev, 2015 .

Impact of Gemini Surfactants on the Stability of Insulin using Computational Tools

P. Singh, K. Kumari, Durgesh Kumar, 2017 .

Synthesis, quantum chemical study, AIM simulation, in silico ADMET profile analysis, molecular docking and antioxidant activity assessment of aminofuran derivatives

Y. Akhter, S. Chandra, Durgesh Kumar, 2020 .

Promising inhibitors of nsp2 of CHIKV using molecular docking and temperature-dependent molecular dynamics simulations

P. Singh, N. Kaushik, K. Kumari, 2021, Journal of biomolecular structure & dynamics.

Metal-ligand complex formation between ferrous or ferric ion with syringic acid and their anti-oxidant and anti-microbial activities: DFT and molecular docking approach

Anilesh Kumar, Pradeep K. Singh, K. Kumari, 2020 .

Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures

Ramesh Chandra, Abhilash Jayaraj, R. Chandra, 2020, Journal of biomolecular structure & dynamics.

An insight for the interaction of drugs (acyclovir/ganciclovir) with various ionic liquids: DFT calculations and molecular docking

P. Singh, P. Jain, K. Kumari, 2021, Journal of Physical Organic Chemistry.

Computational approach to study the synthesis of noscapine and potential of stereoisomers against nsP3 protease of CHIKV

Parul Yadav, P. Singh, K. Kumari, 2019, Heliyon.

A Theoretical Model to Study the Interaction of Erythro‐Noscapines with nsP3 protease of Chikungunya Virus

P. Singh, K. Kumari, Rajan Patel, 2019, ChemistrySelect.

on the Pharmacological Activities of Hydrazones derivatives

Durgesh Kumar, Praveen Kumar, A. Sahdev, 2016 .

An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the COVID-19: A systematic review

Prashant Singh, Akanksha Gupta, N. Kaushik, 2022, Journal of Infection and Public Health.

L-amino-acids as immunity booster against COVID-19: DFT, molecular docking and MD simulations

P. Singh, S. Pal, K. Kumari, 2021, Journal of Molecular Structure.

Designed thiazolidines: an arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulations

Ajay Kumar, L. Katata-Seru, P. Singh, 2020, Journal of biomolecular structure & dynamics.