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

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

(2013) Sander Pronk et al.   BIOINFORMATICS

AllerTOP - a server for in silico prediction of allergens

(2013) Ivan Dimitrov et al.   BMC BIOINFORMATICS

The secondary cell wall polysaccharide of Bacillus anthracis provides the specific binding ligand for the C-terminal cell wall-binding domain of two phage endolysins, PlyL and PlyG

(2013) J. Ganguly et al.   GLYCOBIOLOGY

Validation of potential inhibitors for SrtA againstBacillus anthracisby combined approach of ligand-based and molecular dynamics simulation

(2013) Chandrabose Selvaraj 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

Use of a Bacteriophage Lysin to Identify a Novel Target for Antimicrobial Development

(2013) Raymond Schuch et al.   PLoS One

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

Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking

(2012) Jing Fu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach

(2012) Sunil Kumar Tripathi et al.   JOURNAL OF MOLECULAR RECOGNITION

Endolysins of Bacillus anthracis Bacteriophages Recognize Unique Carbohydrate Epitopes of Vegetative Cell Wall Polysaccharides with High Affinity and Selectivity

(2012) Kai-For Mo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bacteriophage therapy: potential uses in the control of antibiotic-resistant pathogens

(2011) Ben Burrowes et al.   Expert Review of Anti-Infective Therapy

Role of Net Charge on Catalytic Domain and Influence of Cell Wall Binding Domain on Bactericidal Activity, Specificity, and Host Range of Phage Lysins

(2011) Lieh Yoon Low et al.   JOURNAL OF BIOLOGICAL 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

Architects at the bacterial surface — sortases and the assembly of pili with isopeptide bonds

(2011) Antoni P. A. Hendrickx et al.   NATURE REVIEWS MICROBIOLOGY

The Sortase A Enzyme That Attaches Proteins to the Cell Wall ofBacillus anthracisContains an Unusual Active Site Architecture

(2010) Ethan M. Weiner et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

DFT Study on the Catalytic Reactivity of a Functional Model Complex for Intradiol-Cleaving Dioxygenases

(2010) Valentin Georgiev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proteasome Regulators: Activators and Inhibitors

(2009) Li Huang et al.   CURRENT MEDICINAL CHEMISTRY

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

Preparedness for an anthrax attack

(2009) David R. Franz   MOLECULAR ASPECTS OF MEDICINE

Characterization of the catalytic activity of the γ-phage lysin, PlyG, specific forBacillus anthracis

(2008) Hitomi S. Kikkawa et al.   FEMS MICROBIOLOGY LETTERS