Molecular insights on analogs of HIV PR inhibitors toward HTLV-1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV-1 PR

Molecular modeling studies and comparative analysis on structurally similar HTLV and HIV protease using HIV-PR inhibitors

(2014) Chandrabose Selvaraj et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

Structural elucidation of SrtA enzyme in Enterococcus faecalis: an emphasis on screening of potential inhibitors against the biofilm formation

(2014) Chandrabose Selvaraj et al.   Molecular BioSystems

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

195In silicostudy on HIV-PRIs substructures to terminate proteolytic activity in HTLV

(2013) Poonam Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Exploration of fluoroquinolone resistance inStreptococcus pyogenes: comparative structure analysis of wild-type and mutant DNA gyrase

(2013) Raja Mohmed Beema Shafreen et al.   JOURNAL OF MOLECULAR RECOGNITION

Identification of potential HIV-1 integrase strand transfer inhibitors:In silicovirtual screening and QM/MM docking studies

(2013) K.K. Reddy et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Kinetic characterization of newly discovered inhibitors of various constructs of human T-cell leukemia virus-1 (HTLV-1) protease and their effect on HTLV-1-infected cells

(2012) Ahu Demir et al.   ANTIVIRAL THERAPY

Exploration of the binding of DNA binding ligands toStaphylococcalDNA through QM/MM docking and molecular dynamics simulation

(2012) Periyasamy Vijayalakshmi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Retroviral Coinfections: HIV and HTLV: Taking Stock of More Than a Quarter Century of Research

(2011) Mark A. Beilke   AIDS RESEARCH AND HUMAN RETROVIRUSES

Human T cell lymphotropic virus type 1 (HTLV-1) proviral load of HTLV-associated myelopathy/tropical spastic paraparesis (HAM/TSP) patients according to new diagnostic criteria of HAM/TSP

(2011) Maria Fernanda Rios Grassi et al.   JOURNAL OF MEDICAL VIROLOGY

A comparative study of HIV-1 and HTLV-I protease structure and dynamics reveals a conserved residue interaction network

(2011) Pia Rücker et al.   JOURNAL OF MOLECULAR MODELING

Development of [Ile40]HTLV-I protease inhibition assay using novel fluorogenic and chromogenic substrate

(2011) Henri-Obadja Kumada et al.   JOURNAL OF PEPTIDE SCIENCE

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

Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors

(2009) Mahmoud Benltifa et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Correlation between Performance of QM/MM Docking and Simple Classification of Binding Sites

(2009) Jae Yoon Chung et al.   Journal of Chemical Information and Modeling

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

Identifying and Characterizing Binding Sites and Assessing Druggability

(2009) Thomas A. Halgren   Journal of Chemical Information and Modeling

The PubChem chemical structure sketcher

(2009) Wolf D Ihlenfeldt et al.   Journal of Cheminformatics

Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic⊥

(2008) Xiongyu Wu et al.   JOURNAL OF MEDICINAL CHEMISTRY

HTLV-1 Integration into Transcriptionally Active Genomic Regions Is Associated with Proviral Expression and with HAM/TSP

(2008) Kiran N. Meekings et al.   PLoS Pathogens