77 search results - page 15 / 16 » A structural keystone for drug design |
127
Voted
CCCG
1998
15 years 1 months ago
1998
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
92
Voted
ISMB
1996
15 years 1 months ago
1996
For transmembrane proteins experimental determina-tion of three-dimensional structure is problematic. However, membrane proteins have important impact for molecular biology in gen...
110
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BMCBI
2010
14 years 11 months ago
2010
Background: One of the most challenging aspects of biomolecular systems is the understanding of the coevolution in and among the molecule(s). A complete, theoretical picture of th...
101
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BMCBI
2010
14 years 11 months ago
2010
Background: Transcriptional gene regulation is one of the most important mechanisms in controlling many essential cellular processes, including cell development, cell-cycle contro...
BMCBI
2010
14 years 11 months ago
2010
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...