SPROUT

Scientific Presentations and Publications

Below is a list of scientific presentations available about the software:

• A detailed overview of the products in the SPROUT family is provided in this ACS presentation @ The 231st ACS National Meeting, March 26-30, 2006, Atlanta, GA, USA
• A detailed description of various modules of  SPROUT is provided in an electronic paper presented to the First Electronic Computational Chemistry Conference, 1995
• A poster, "De Novo Ligand Generation and Docking", was presented at the 36th Buffalo Medicinal Conference, May 1995.
• The slides are available from the lecture: "Computational Methods for Ligand Design and Combinatorial Chemistry", presented at the symposium of the Society for Medicines Research on New Technologies in Drug Discovery, Stevenage (UK), March 1996.
• The slides are available from the lecture: "HIPPO: A Program for Prediction, visualisation and Analysis of Receptor-Ligand Interactions", presented at the MGMS meeting on Molecular Interactions, York (UK), April 1996.
• The slides are available from the lecture: "Fast Ligand Docking from an Infinite 3D Database", presented at the Fourth International Conference on Chemical Structures, Noordwijkerhout (Netherlands), June 1996.

Visualisation in SPROUT

• The "Visualisation in the SPROUT molecular design program", is an on-line version of the lecture presented at the 1st Pacific Symposium on Biocomputing, Interactive Molecular Visualisation session, Hawaii (USA), January 1996.

Below is a list of scientific publications about the software:

• Krisztina Boda, A. Peter Johnson: "Molecular complexity analysis of de novo designed ligands"
  J. Med. Chem., 49 (20), 5869 -5879, 2006. 10.1021/jm050054p S0022-2623(05)00054-3
  Web Release Date: January 26, 2006
  view article
• Jacqueline M.S.Law, David Y.K. Fung, Zsolt Zsoldos, Aniko Simon, Zsolt Szabo, Imre G. Csizmadia, A. Peter Johnosn: "Validation of the SPROUT de novo design program"
  Journal of Molecular Structure: THEOCHEM, Volumes 666-667 29 December 2003, Pages 651-657
  view: article
• A.P. Johnson, K. Boda,  J.M. Marchaland, A. Ting: "De novo design of synthetically accessible ligands."
  Abstr. Pap. Am. Chem. Soc., 2000, Mar 26, vol: 219, pages: 49-COMP
• A.P. Johnson, A.R. Leach, J.F.  Marchaland, Z. Szabo, M. Vargyas: "Structure based selection of combinatorial library subsets"
  Abstr. Pap. Am. Chem. Soc., 1999, Mar 21, vol: 217, pages: 219-COMP
• V.J. Gillet, A.P. Johnson: "Structure generation for de-novo design"
  Des.Bioact. Mol. 1998. 149-174
• A.P. Johnson, Z.  Zsoldos,  J. Baber, A. Clark: "De novo design of synthetically accessible ligands"
  Abstr. Pap. Am. Chem. Soc., 1998, Aug 23, vol: 216, pages: 014-COMP
• A.P. Johnson: "Challenges and progress in structure-based ligand design"
  Abstr. Pap. Am. Chem. Soc., 1997, Sep 7, vol: 214, pages: 50-CIN
• A.P. Johnson, Z.  Zsoldos,  D.M. Bayada, A. Clark,  J. Baber: "Recent developments in the sprout system for de novo ligand design"
  Abstr. Pap. Am. Chem. Soc., 1996, Aug 25, vol 212, pages: 127-COM
• V.J. Gillet, G. Myatt, Z.  Zsoldos, A.P.  Johnson: "SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility"
  Perspect. Drug Discov. Design, 1995,  vol: 3, pages: 34-50
• P. Mata, V.J.  Gillet, A.P. Johnson, J. Lampreia, G.J. Myatt, S. Sike, A.  Stebbings: "SPROUT-3D structure generation using templates"
  J. Chem. Inf. Comput. Sci., 1995, vol: 35, pages: 479-493
• Z. Zsoldos, G.  Myatt,  V.J.  Gillet, A. Johnson: "New developments in the SPROUT program for de-novo design and the CAESA  system for estimation of  synthetic  accessibility"
  Abstr. Pap. Am. Chem. Soc.,  1994, Aug 21, vol: 208, pages: 159-COMP
• V.J. Gillet, P. Mata, G. Myatt, W.R.  Newelll, S. Sike, Z. Zsoldos, A.P.  Johnson: "Programs for de-novo structure generation and estimation of synthetic accessibility"
  Abstr. Pap. Am. Chem. Soc., 1994., Mar 13, vol: 207, pages: 99-COMP
• V.J. Gillet,  W.R.  Newelll,  P. Mata, G. Myatt, S. Sike, Z. Zsoldos, A.P.  Johnson: "SPROUT - recent developments in the  de-novo design of molecules"
  J. Chem. Inf. Comput. Sci., 1994, vol: 34, pages: 207-217
• V.J. Gillet, A.P. Johnson, P. Mata, S. Sike, P.  Williams: "SPROUT - a program for structure generation"
  J. Comput.-Aided Mol. Des., 1993, vol: 7, pages: 127- 153