|
1
|
eHiTS: a new fast, exhaustive flexible ligand docking system.
|
J Mol Graph Model
|
2006
|
1.44
|
|
2
|
eHiTS: an innovative approach to the docking and scoring function problems.
|
Curr Protein Pept Sci
|
2006
|
1.21
|
|
3
|
The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.
|
Bioorg Med Chem Lett
|
2005
|
1.00
|
|
4
|
CLiDE Pro: the latest generation of CLiDE, a tool for optical chemical structure recognition.
|
J Chem Inf Model
|
2009
|
0.99
|
|
5
|
Route Designer: a retrosynthetic analysis tool utilizing automated retrosynthetic rule generation.
|
J Chem Inf Model
|
2009
|
0.98
|
|
6
|
Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase.
|
J Med Chem
|
2007
|
0.95
|
|
7
|
Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases.
|
J Med Chem
|
2009
|
0.92
|
|
8
|
Molecular complexity analysis of de novo designed ligands.
|
J Med Chem
|
2006
|
0.88
|
|
9
|
Factors influencing the specificity of inhibitor binding to the human and malaria parasite dihydroorotate dehydrogenases.
|
J Med Chem
|
2012
|
0.84
|
|
10
|
A study of the effects of substituents on the selectivity of the binding of N-arylaminomethylene malonate inhibitors to DHODH.
|
Bioorg Med Chem Lett
|
2009
|
0.79
|
|
11
|
Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening.
|
Bioorg Med Chem Lett
|
2009
|
0.78
|
|
12
|
A de novo designed inhibitor of D-Ala-D-Ala ligase from E. coli.
|
Angew Chem Int Ed Engl
|
2005
|
0.78
|
|
13
|
Macrocyclic inhibitors of the bacterial cell wall biosynthesis enzyme MurD.
|
Bioorg Med Chem Lett
|
2003
|
0.77
|
|
14
|
Identification of selective inhibitors of the potassium channel Kv1.1-1.2((3)) by high-throughput virtual screening and automated patch clamp.
|
ChemMedChem
|
2012
|
0.77
|
|
15
|
Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design.
|
J Med Chem
|
2013
|
0.75
|
|
16
|
A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT.
|
Mol Membr Biol
|
2012
|
0.75
|