Identification of potential inhibitors for AIRS fromde novopurine biosynthesis pathway through molecular modeling studies – a computational approach

Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulations

(2015) Jing-Rong Fan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations

(2015) Nicole Balasco et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity

(2015) Minhajul Arfeen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Deciphering key features in protein structures with the new ENDscript server

(2014) Xavier Robert et al.   NUCLEIC ACIDS RESEARCH

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

(2011) Kh. Dhanachandra Singh et al.   JOURNAL OF MOLECULAR MODELING

Structural studies of tri-functional human GART

(2010) Martin Welin et al.   NUCLEIC ACIDS RESEARCH

Identification of inhibitors of N5-carboxyaminoimidazole ribonucleotide synthetase by high-throughput screening

(2009) Steven M. Firestine et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Nucleotide Biosynthesis Is Critical for Growth of Bacteria in Human Blood

(2008) Shalaka Samant et al.   PLoS Pathogens