publication . Article . Other literature type . 2012

Designing the molecular future.

Gisbert Schneider;
Open Access English
  • Published: 01 Jan 2012
  • Country: Switzerland
Abstract
Approximately 25 years ago the first computer applications were conceived for the purpose of automated 'de novo' drug design prominent pioneering tools being ALADDIN CAVEAT GENOA and DYLOMMS. Many of these early concepts were enabled by innovative techniques for ligand receptor interaction modeling like GRID MCSS DOCK and CoMFA which still provide the theoretical framework for several more recently developed molecular design algorithms. After a first wave of software tools and groundbreaking applications in the 1990s expressly GROW GrowMol LEGEND and LUDI representing some of the key players we are currently witnessing a renewed strong interest in this field. In...
Subjects
free text keywords: Drug design; Computational chemistry; Fragment-based design; De novo design, Physical and Theoretical Chemistry, Drug Discovery, Computer Science Applications, Drug design, Computational chemistry, Fragment-based design, De novo design, Scientific disciplines, Computer science, Nanotechnology, Data science, Computer Applications
Any information missing or wrong?Report an Issue