Umesh Yadava

10PUBLICATIONS
10CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMedical devicesProteins and peptidesBiologically active moleculesBiomolecular modelling and design
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Publications (10)

|Dec 31, 2024
Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope protein.

Shivani Negi, Nitin Kumar Kamboj, Gireesh Babu K

|Feb 08, 2023
Understanding the self-assembly dynamics of A/T absent 'four-way DNA junctions with sticky ends' at altered physiological conditions through molecular dynamics simulations.

Akanksha Singh, Ramesh Kumar Yadav, Ali Shati

|Mar 06, 2021
Structure-Based Identification of Natural Products as SARS-CoV-2 M<sup>pro</sup> Antagonist from <i>Echinacea angustifolia</i> Using Computational Approaches.

Shiv Bharadwaj, Sherif Aly El-Kafrawy, Thamir A Alandijany

|Nov 05, 2020
SARS-CoV-2 M<sup>pro</sup> inhibitors: identification of anti-SARS-CoV-2 M<sup>pro</sup> compounds from FDA approved drugs.

Shiv Bharadwaj, Esam Ibraheem Azhar, Mohammad Amjad Kamal

|Oct 01, 2020
Computational and In Vitro Investigation of (-)-Epicatechin and Proanthocyanidin B2 as Inhibitors of Human Matrix Metalloproteinase 1.

Kyung Eun Lee, Shiv Bharadwaj, Umesh Yadava

|Mar 29, 2020
Structure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation.

Shiv Bharadwaj, Akhilesh Kumar Rao, Vivek Dhar Dwivedi

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Frequent Collaborators

8 joint publications

Shiv Bharadwaj

7 joint publications

Sang Gu Kang

6 joint publications

Vivek Dhar Dwivedi

2 joint publications

Kyung Eun Lee