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» A structural keystone for drug design
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ISBI
2002
IEEE
16 years 11 days ago
Image content-based retrieval and automated interpretation of fluorescence microscope images via the protein subcellular locatio
We describe the Protein Subcellular Location Image Database (PSLID), which collects and structures 2-D through 5-D fluorescence microscope images, annotations, and derived feature...
Kai Huang, Jennifer Lin, James A. Gajnak, Robert F...
BMCBI
2008
85views more  BMCBI 2008»
14 years 11 months ago
Wanted: unique names for unique atom positions. PDB-wide analysis of diastereotopic atom names of small molecules containing dip
Background: Biological chemistry is very stereospecific. Nonetheless, the diastereotopic oxygen atoms of diphosphate-containing molecules in the Protein Data Bank (PDB) are often ...
Christopher A. Bottoms, Dong Xu
91
Voted
GRID
2007
Springer
15 years 5 months ago
Grid-based asynchronous replica exchange
— Replica exchange is a powerful sampling algorithm and can be effectively used for applications such as simulating the structure, function, folding, and dynamics of proteins and...
Zhen Li, Manish Parashar
89
Voted
GECCO
2003
Springer
165views Optimization» more  GECCO 2003»
15 years 4 months ago
An Evolutionary Approach for Molecular Docking
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...
Jinn-Moon Yang
85
Voted
BIRD
2008
Springer
109views Bioinformatics» more  BIRD 2008»
15 years 1 months ago
A Robust Class of Stable Proteins in the 2D HPC Model
The inverse protein folding problem is that of designing an amino acid sequence which has a prescribed native protein fold. This problem arises in drug design where a particular st...
Alireza Hadj Khodabakhshi, Ján Manuch, Aras...