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List of works by Sivakumar Prasanth Kumar

A Computational Approach towards the Understanding of Plasmodium falciparum Multidrug Resistance Protein 1

scientific article

A computational model for non-conserved mature miRNAs from the rice genome.

scientific article published on 7 March 2014

A multiparametric organ toxicity predictor for drug discovery

scientific article published on 29 October 2019

An integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculations

scientific article published on 08 October 2019

Applications of Receptor- and Ligand-based Models in Inverse Docking Experiments: Recognition of Dihydrofolate Reductase Using 7,8-Dialkyl- 1,3-Diaminopyrrolo[3,2-f]Quinazolines

scientific article published on 01 January 2016

Cardiotonic steroids as potential Na+/K+-ATPase inhibitors - a computational study

scientific article published on 01 June 2019

Compound prioritization from inverse docking experiment using receptor-centric and ligand-centric methods: a case study on Plasmodium falciparum Fab enzymes

scientific article published in April 2014

Design, synthesis, biological evaluation, and molecular modeling of coumarin-piperazine derivatives as acetylcholinesterase inhibitors

scientific article published on 8 October 2013

Development of pharmacophore similarity-based quantitative activity hypothesis and its applicability domain: applied on a diverse data-set of HIV-1 integrase inhibitors.

scientific article

Epitope-based immunoinformatics and molecular docking studies of nucleocapsid protein and ovarian tumor domain of crimean-congo hemorrhagic Fever virus.

scientific article published on 2 November 2011

Exploration of Mycobacterium tuberculosis structural proteome: An in-silico approach.

scientific article published on 29 November 2017

Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics

scientific article published on 24 February 2017

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

scientific article published on 29 September 2020

Implementation of pseudoreceptor-based pharmacophore queries in the prediction of probable protein targets: explorations in the protein structural profile of Zea mays

scientific article published on 22 April 2014

MDCKpred: a web-tool to calculate MDCK permeability coefficient of small molecule using membrane-interaction chemical features

scientific article published on 27 September 2018

Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding.

scientific article published on 9 August 2017

Multi-Pharmacophore Modeling of Caspase-3 Inhibitors using Crystal, Dock and Flexible Conformation Schemes

scientific article published in January 2018

Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening.

scientific article

PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.

scientific article

Prediction of protein targets of kinetin using in silico and in vitro methods: a case study on spinach seed germination mechanism

scientific article published on 12 May 2015

Prioritization of active antimalarials using structural interaction profile of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives.

scientific article

Qualitative and quantitative pharmacophore-similarity assessment of anthranilamide-based factor Xa inhibitors: applications on similar molecules with identical biological endpoints.

scientific article published on 29 September 2015

Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes

scientific article published on 15 September 2018

Receptor-Guided De Novo Design of Dengue Envelope Protein Inhibitors.

scientific article published on 25 August 2015

Structural insights into the theoretical model of Plasmodium falciparum NADH dehydrogenase and its interaction with artemisinin and derivatives: towards global health therapeutics

scientific article published on May 2013

The effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models

scientific article published on 21 May 2015

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