Structure-based drug design.

TTD: Therapeutic Target Database. Nucleic Acids Res (2002) 4.91

Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery. Philos Trans R Soc Lond B Biol Sci (2006) 1.08

Structural genomics and drug discovery. J Cell Mol Med (2007) 1.04

Biochemical and structural characterization of alanine racemase from Bacillus anthracis (Ames). BMC Struct Biol (2009) 0.95

The crystal structure of alanine racemase from Streptococcus pneumoniae, a target for structure-based drug design. BMC Microbiol (2011) 0.91

A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry. Chembiochem (2009) 0.85

X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design. J Struct Biol (2009) 0.84

MCDOCK: a Monte Carlo simulation approach to the molecular docking problem. J Comput Aided Mol Des (1999) 0.84

Molecular drug targets and structure based drug design: A holistic approach. Bioinformation (2006) 0.83

Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations. J Comput Aided Mol Des (2007) 0.79

Chemical genetic screening of KRAS-based synthetic lethal inhibitors for pancreatic cancer. Front Biosci (Landmark Ed) (2009) 0.77

Structure-guided design of a novel class of benzyl-sulfonate inhibitors for influenza virus neuraminidase. Biochem J (2006) 0.77

NMR approaches in structure-based lead discovery: recent developments and new frontiers for targeting multi-protein complexes. Prog Biophys Mol Biol (2014) 0.76

Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. J Med Chem (2015) 0.75

Structure guided inhibitor designing of CDK2 and discovery of potential leads against cancer. J Mol Model (2013) 0.75

Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT. J Mol Model (2010) 0.75

Protein-protein interactions in receptor activation and intracellular signalling. Biol Chem (2001) 0.86