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List of works by Debasisa Mohanty

A genetic locus required for iron acquisition in Mycobacterium tuberculosis

scientific journal article

A machine-learning-based method for prediction of macrocyclization patterns of polyketides and nonribosomal peptides

scientific article published on 03 October 2020

A new family of type III polyketide synthases in Mycobacterium tuberculosis

scientific journal article

An in silico analysis of the binding modes and binding affinities of small molecule modulators of PDZ-peptide interactions

scientific article (publication date: 2013)

Chain folding and A:T pairing in human telomeric DNA: a model-building and molecular dynamics study

scientific article published on September 1995

Chk1-dependent constitutive phosphorylation of BLM helicase at serine 646 decreases after DNA damage

scientific article

Computational approach for prediction of domain organization and substrate specificity of modular polyketide synthases

scientific article published in April 2003

Conformational polymorphism in G-tetraplex structures: strand reversal by base flipover or sugar flipover.

scientific article published on April 1993

Conformational polymorphism in telomeric structures: loop orientation and interloop pairing in d(G4TnG4)

scientific article published on 01 September 1994

Correlation between knowledge-based and detailed atomic potentials: application to the unfolding of the GCN4 leucine zipper

scientific article published on June 1999

DNA polymorphism and local variation in base-pair orientation: a theoretical rationale

scientific article published on 01 August 1991

De novo simulations of the folding thermodynamics of the GCN4 leucine zipper.

scientific article

Deciphering evolution of immune recognition in antibodies

Deciphering kinase-substrate relationships by analysis of domain-specific phosphorylation network.

scientific article

Deciphering the Molecular Basis of Functional Divergence in AMPylating Enzymes by Molecular Dynamics Simulations and Structure Guided Phylogeny.

scientific article published on 14 August 2015

Dissecting the functional role of polyketide synthases in Dictyostelium discoideum: biosynthesis of the differentiation regulating factor 4-methyl-5-pentylbenzene-1,3-diol.

scientific article published on 5 February 2008

Dissecting the mechanism and assembly of a complex virulence mycobacterial lipid

scientific journal article

Enzymic activation and transfer of fatty acids as acyl-adenylates in mycobacteria

scientific journal article

Erratum: Corrigendum: Enzymic activation and transfer of fatty acids and acyl-adenylates in mycobacteria

scientific article published in Nature

Erratum: Enzymic activation and transfer of fatty acids as acyl-adenylates in mycobacteria

scholarly article published in Nature

Fatty acyl-AMP ligases and polyketide synthases are unique enzymes of lipid biosynthetic machinery in Mycobacterium tuberculosis

scientific article published on 20 May 2011

Genome scale prediction of substrate specificity for acyl adenylate superfamily of enzymes based on active site residue profiles ⬇️

scientific article

Genome-wide search for eliminylating domains reveals novel function for BLES03-like proteins.

scientific article

Hairpin and parallel quartet structures for telomeric sequences.

scientific article published on August 1992

Identification of substrates for Ser/Thr kinases using residue-based statistical pair potentials.

scientific article published on 12 November 2009

In silico analysis of methyltransferase domains involved in biosynthesis of secondary metabolites

scientific article

In silico identification of AMPylating enzymes and study of their divergent evolution

scientific article published on 3 June 2015

In silico methods for linking genes and secondary metabolites: The way forward.

scientific article published in April 2016

Inter-domain movements in polyketide synthases: a molecular dynamics study

scientific article published on 27 January 2012

Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water.

scientific article published on September 1997

LipidII interaction with specific residues of Mycobacterium tuberculosis PknB extracytoplasmic domain governs its optimal activation

scientific article published on 15 March 2019

MODPROPEP: a program for knowledge-based modeling of protein-peptide complexes

scientific article published on 3 May 2007

Mechanism of autophosphorylation of mycobacterial PknB explored by molecular dynamics simulations.

scientific article

Mechanistic and functional insights into fatty acid activation in Mycobacterium tuberculosis

scientific article

Modeling holo-ACP:DH and holo-ACP:KR complexes of modular polyketide synthases: a docking and molecular dynamics study

scientific article

Molecular Dynamics Simulations for Deciphering the Structural Basis of Recognition of Pre-let-7 miRNAs by LIN28.

scientific article published on 11 January 2017

Molecular dynamics simulations on pars intercerebralis major peptide-C (PMP-C) reveal the role of glycosylation and disulfide bonds in its enhanced structural stability and function.

scientific article published in January 2012

NRPS-PKS: a knowledge-based resource for analysis of NRPS/PKS megasynthases

scientific article published on July 2004

Novel insights into the regulation of malarial calcium-dependent protein kinase 1

scientific article

Novel intermolecular iterative mechanism for biosynthesis of mycoketide catalyzed by a bimodular polyketide synthase.

scientific article

PAR-3D: a server to predict protein active site residues.

scientific article

Prediction of inter domain interactions in modular polyketide synthases by docking and correlated mutation analysis.

scientific article

Promiscuous fatty acyl CoA ligases produce acyl-CoA and acyl-SNAC precursors for polyketide biosynthesis

scientific article published in July 2005

RECQL4 is essential for the transport of p53 to mitochondria in normal human cells in the absence of exogenous stress.

scientific article

RegAnalyst: a web interface for the analysis of regulatory motifs, networks and pathways.

scientific article published on 21 May 2009

Retrobiosynthetic approach delineates the biosynthetic pathway and the structure of the acyl chain of mycobacterial glycopeptidolipids

scientific article

RiPPMiner: a bioinformatics resource for deciphering chemical structures of RiPPs based on prediction of cleavage and cross-links

scientific article published on 12 May 2017

Role of glycosylation in structure and stability of Erythrina corallodendron lectin (EcorL): a molecular dynamics study

scientific article

SBSPKS: structure based sequence analysis of polyketide synthases

scientific article

SBSPKSv2: structure-based sequence analysis of polyketide synthases and non-ribosomal peptide synthetases.

scientific article published on 29 April 2017

SEARCHGTr: a program for analysis of glycosyltransferases involved in glycosylation of secondary metabolites

scientific article

SEARCHPKS: A program for detection and analysis of polyketide synthase domains.

scientific article

Sequence- and structure-based analysis of proteins involved in miRNA biogenesis.

scientific article published on 8 December 2016

Structure-based identification of MHC binding peptides: Benchmarking of prediction accuracy

scientific article published on 18 October 2010

Structure-based multiscale approach for identification of interaction partners of PDZ domains

scientific article published on 17 March 2014

The role of metal ions in substrate recognition and stability of concanavalin A: a molecular dynamics study

scientific article published on January 2009

Towards prediction of metabolic products of polyketide synthases: an in silico analysis

scientific article

Two functionally distinctive phosphopantetheinyl transferases from amoeba Dictyostelium discoideum

scientific article

Understanding the molecular basis of substrate binding specificity of PTB domains

scientific article published on 16 August 2016

Versatile polyketide enzymatic machinery for the biosynthesis of complex mycobacterial lipids.

scientific article published on 28 February 2007

Versatility of polyketide synthases in generating metabolic diversity.

scientific article published on November 2007

modPDZpep: a web resource for structure based analysis of human PDZ-mediated interaction networks

scientific article published on 21 September 2016

novPTMenzy: a database for enzymes involved in novel post-translational modifications

scientific article published on 29 April 2015

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