Amit Kumar Singh

6PUBLICATIONS
13CO-AUTHORS
Infectious agentsCheminformatics and quantitative structure-activity relationshipsStructural properties of condensed matter
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Publications (6)

|Feb 16, 2024
Exploration of potential hit compounds targeting 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii: an in silico investigation.

Mahrukh Parveez Zia, Monika Jain, Jayaraman Muthukumaran

|Feb 08, 2023
Structural and functional characterization of 1-deoxy-D-xylulose-5-phosphate synthase (DXS) from Acinetobacter baumannii: identification of promising lead molecules from virtual screening, molecular docking and molecular dynamics simulations.

Mahrukh Parveez Zia, Ekampreet Singh, Monika Jain

|Jun 15, 2022
Identification and prioritization of promising lead molecules from Syzygium aromaticum against Sortase C from Streptococcus pyogenes: an in silico investigation.

Purti Mangal, Rajat Kumar Jha, Monika Jain

|Nov 02, 2021
PEG mediated destabilization of holo α-lactalbumin probed by in silico and in vitro studies: deviation from excluded volume effect.

Neha Raina, Md Imtaiyaz Hassan, Faizan Ahmad

|Oct 13, 2021
Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CLpro from SARS-CoV-2: An integrated in silico approach.

Rajat Kumar Jha, Rameez Jabeer Khan, A Parthiban

|Sep 05, 2020
Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study.

Rameez Jabeer Khan, Rajat Kumar Jha, Ekampreet Singh

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Frequent Collaborators

5 joint publications

Monika Jain

5 joint publications

Jayaraman Muthukumaran

3 joint publications

Rajat Kumar Jha

3 joint publications

Ekampreet Singh