Get started
Author

Shruti Koulgi

Observed names: Koulgi, Shruti, Shruti Koulgi, Shruti
ORCID: 0000-0002-0709-7461
Observed ORCID: 0000-0002-0709-7461
OpenAlex ID: A5029614073
Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL pro )
2020 · Shruti Koulgi, Vinod Jani, et al. · Journal of Biomolecular Structure and Dynamics · 60
Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2
2020 · Shruti Koulgi, Vinod Jani, et al. · RSC Advances · 56
PDF
Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2
2021 · Shruti Koulgi, Vinod Jani, et al. · PLoS ONE · 33
PDF
Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2
2021 · Shruti Koulgi, Vinod Jani, et al. · Journal of Biomolecular Structure and Dynamics · 12
PDF
QM-MM simulations on p53-DNA complex: a study of hot spot and rescue mutants
2013 · Shruti Koulgi, Archana Achalere, et al. · Journal of Molecular Modeling · 11
Insights into the folding pathway of the Engrailed Homeodomain protein using replica exchange molecular dynamics simulations
2010 · Shruti Koulgi, Uddhavesh Sonavane, et al. · Journal of Molecular Graphics and Modelling · 11
Studying early structural changes in SOS1 mediated KRAS activation mechanism
2023 · Kirti Bhadhadhara, Vinod Jani, et al. · Current Research in Structural Biology · 10
An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2–Spike complex of SARS-CoV-2 using computational methods
2021 · Vinod Jani, Shruti Koulgi, et al. · Chemical Papers · 10
PDF
Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity
2021 · Shruti Koulgi, Vinod Jani, et al. · Journal of Biomolecular Structure and Dynamics · 9
PDF
Investigating DNA Binding and Conformational Variation in Temperature Sensitive p53 Cancer Mutants Using QM-MM Simulations
2015 · Shruti Koulgi, Archana Achalere, et al. · PLoS ONE · 8
PDF
Markov State Modeling Analysis Captures Changes in the Temperature-Sensitive N-Terminal and β-Turn Regions of the p53 DNA-Binding Domain
2022 · Shruti Koulgi, Archana Achalere, et al. · Journal of Chemical Information and Modeling · 7
Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations
2021 · Raghava R. Sunkara, Shruti Koulgi, et al. · Journal of Biomolecular Structure and Dynamics · 6
In-silico evaluation of Oroxylum indicum vent compounds in the plausible treatment and prevention of nasopharyngeal cancer
2024 · Saketh Ram Thrigulla, Gagandeep Singh, et al. · Journal of Ayurveda and Integrative Medicine · 5
Evaluating therapeutic potential of AYUSH-64 constituents against omicron variant of SARS-CoV-2 using ensemble docking and simulations
2024 · Vinod Jani, Shruti Koulgi, et al. · Current Research in Structural Biology · 4
Computational Drug Repurposing Studies on the ACE2-Spike (RBD) Interface of SARS-CoV-2
2020 · Vinod Jani, Shruti Koulgi, et al. · ChemRxiv · 4
PDF
Computational Drug Repurposing Studies on the ACE2-Spike (RBD) Interface of SARS-CoV-2
2020 · Vinod Jani, Shruti Koulgi, et al. · ChemRxiv · 4
Balchaturbhadra Churna as a potential medicine for SARS-CoV2 infection in pediatric setting
2022 · Kuldeep Rattaram Choudhary, Saketh Ram Thrigulla, et al. · AYU (An International Quarterly Journal of Research in Ayurveda) · 3
PDF
TANGO: A high through‐put conformation generation and semiempirical method‐based optimization tool for ligand molecules
2018 · Vivek Gavane, Shruti Koulgi, et al. · Journal of Computational Chemistry · 3
A Deep Dive into the Conformational Dynamics of CYP3A4 : Understanding the Binding of Homotropic and Non‐homotropic Ligands for Mitigating Drug‐Drug interaction (DDI)
2022 · Shruti Koulgi, Vinod Jani, et al. · ChemistrySelect · 2
Phytochemicals from AYUSH-64 screened against main protease and spike protein of Omicron variant of SARS-CoV-2 using ensemble docking approach
2022 · Shruti Koulgi, Vinod Jani, et al. · OSF Preprints (OSF Preprints) · 2
Computational Drug Repurposing Studies on the ACE2-Spike (RBD) Interface of SARS-CoV-2
2020 · Vinod Jani, Shruti Koulgi, et al. · ChemRxiv · 2
PDF
Drug Repurposing Studies Targeting SARS-nCoV2: An Ensemble Docking Approach on Drug Target 3C-like Protease (3CLpro)
2020 · Shruti Koulgi, Vinod Jani, et al. · ChemRxiv · 2
Unlocking the potential of RNAi as a therapeutic strategy against infectious viruses: an in-silico study
2023 · Mallikarjunachari V. N. Uppuladinne, Shruti Koulgi, et al. · Chemical Papers · 1
Turbo Analytics: Applications of Big Data and HPC in Drug Discovery
2019 · Rajendra R. Joshi, Uddhavesh Sonavane, et al. · Challenges and advances in computational chemistry and physics · 1
GANANA_WorkPackage3.2: Modified nucleotide dataset
2026 · Mallikarjunachari Uppuladinne, Arjun, Vinod Jani, Vinod, et al. · Zenodo (CERN European Organization for Nuclear Research)
Works count: 44
Citation count: 263
H-index: 8
I10-index: 7
Year
Topic
Type