Mechanistic insights of SrtA–LPXTG blockers targeting the transpeptidase mechanism in Streptococcus mutans

Structure-Based Virtual Screening and Biological Evaluation of a Calpain Inhibitor for Prevention of Selenite-Induced Cataractogenesis in an in Vitro System

(2015) Arumugam Ramachandran Muralidharan et al.   Journal of Chemical Information and Modeling

Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors

(2015) Chandrabose Selvaraj et al.   Molecular BioSystems

Sorting of LPXTG Peptides by Archetypal Sortase A: Role of Invariant Substrate Residues in Modulating the Enzyme Dynamics and Conformational Signature of a Productive Substrate

(2014) Tora Biswas et al.   BIOCHEMISTRY

Investigations on the Interactions of λPhage-Derived Peptides Against the SrtA Mechanism in Bacillus anthracis

(2013) Chandrabose Selvaraj et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Morin Inhibits Sortase A and Subsequent Biofilm Formation in Streptococcus mutans

(2013) Ping Huang et al.   CURRENT MICROBIOLOGY

Blocking the interaction between HIV-1 integrase and human LEDGF/p75: mutational studies, virtual screening and molecular dynamics simulations

(2013) Karnati Konda Reddy et al.   Molecular BioSystems

Structural, phylogenetic and docking studies of D-amino acid oxidase activator (DAOA), a candidate schizophrenia gene

(2013) Sheikh Sehgal et al.   Theoretical Biology and Medical Modelling

Comparative Analysis of Different DNA-Binding Drugs for Leishmaniasis Cure: A Pharmacoinformatics Approach

(2012) Nutan Chauhan et al.   Chemical Biology & Drug Design

In silico analysis of Single Nucleotide Polymorphisms (SNPs) in human BRAF gene

(2012) Muhammad Ramzan Manwar Hussain et al.   GENE

100 ns Molecular Dynamics Simulations to Study Intramolecular Conformational Changes in Bax

(2012) Caroline Koshy et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Isolation and Characterization of A Cytosolic Pyruvate Kinase cDNA From Loquat (Eriobotrya japonica Lindl.)

(2012) Qiaoping Qin et al.   PLANT MOLECULAR BIOLOGY REPORTER

Efficacy of E. officinalis on the Cariogenic Properties of Streptococcus mutans: A Novel and Alternative Approach to Suppress Quorum-Sensing Mechanism

(2012) Sadaf Hasan et al.   PLoS One

Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation

(2011) Juan Du et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach

(2011) Chandrabose Selvaraj et al.   MEDICINAL CHEMISTRY RESEARCH

Photoisomerization and Photochemistry of Matrix-Isolated 3-Furaldehyde

(2010) Nihal Kuş et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cheminformatics-Based Drug Design Approach for Identification of Inhibitors Targeting the Characteristic Residues of MMP-13 Hemopexin Domain

(2010) Roopa Kothapalli et al.   PLoS One

Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model

(2009) Debananda Das et al.   Journal of Chemical Information and Modeling

Bacterial Interactions in Dental Biofilm Development

(2009) K. Hojo et al.   JOURNAL OF DENTAL RESEARCH

MetaMQAP: A meta-server for the quality assessment of protein models

(2008) Marcin Pawlowski et al.   BMC BIOINFORMATICS

Characteristics of Biofilm Formation by Streptococcus mutans in the Presence of Saliva

(2008) S.-J. Ahn et al.   INFECTION AND IMMUNITY

Pili in Gram-positive bacteria: assembly, involvement in colonization and biofilm development

(2008) Anjali Mandlik et al.   TRENDS IN MICROBIOLOGY