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JCC
2007
88views more  JCC 2007»
13 years 4 months ago
Recent advances in planar tetracoordinate carbon chemistry
: We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We g...
Gabriel Merino, Miguel A. Méndez-Rojas, Alb...
JCC
2008
88views more  JCC 2008»
13 years 4 months ago
A self-organizing algorithm for molecular alignment and pharmacophore development
Abstract: We present a method for simultaneous three-dimensional (3D) structure generation and pharmacophorebased alignment using a self-organizing algorithm called Stochastic Prox...
Deepak Bandyopadhyay, Dimitris K. Agrafiotis
JCC
2011
154views more  JCC 2011»
12 years 7 months ago
Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
Dariusz Plewczynski, Michal Lazniewski, Rafal Augu...