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SPROUT Presentations

Features and applications of the SPROUT family of de novo design programs
A. Peter Johnson, Vilmos A. Valko
243rd ACS National Meeting , COMP 185
March 2012
San Diego, CA
ABSTRACT
Fragment-based de novo ligand design: A valuable optimization tool in fragment-based lead discovery
A. Peter Johnson
Discovery Chemistry Congress
March 2012
Munich, Germany
ABSTRACT
Fragment evolution using SPROUT-HitOpt
Vilmos A. Valko, A. Peter Johnson
Fragment-based Lead Discovery Conference 2009
September 2009
York, United Kingdom
ABSTRACT POSTER
Computational tools for fragment based drug design
A. Peter Johnson, Zsolt Zsoldos, Aniko T. Valko, Vilmos A. Valko
237th ACS National Meeting , CINF 33
March 2009
Salt Lake City, UT
ABSTRACT
SPROUT - realizing the potential of de novo design
Darryl Reid
November 2007
PRESENTATION
SPROUT LeadOpt: protein structure based lead optimisation
A. Peter Johnson, Krisztina Boda, Philip Bone, Shane Weaver, Aniko T. Valko, Vilmos A. Valko
4th Joint Sheffield Conference on Chemoinformatics
July 2007
Sheffield, United Kingdom
ABSTRACT
SynSPROUT and SPROUT-LeadOpt: De novo ligand design and optimization guided by virtual synthesis
A. Peter Johnson, Vilmos A. Valko, Aniko T. Valko, Zsolt Zsoldos, Krisztina Boda, Darryl Reid
233rd ACS National Meeting , COMP 37
March 2007
Chicago, IL
ABSTRACT PRESENTATION
SynSPROUT: Virtual synthesis in protein cavities
A. Peter Johnson, Krisztina Boda, Shane Weaver, Vilmos A. Valko
232nd ACS National Meeting , ORGN 628
September 2006
San Francisco, CA
ABSTRACT
De novo design tools for the generation of synthetically accessible ligands
A. Peter Johnson, Krisztina Boda, Shane Weaver, Aniko T. Valko, Vilmos A. Valko
231st ACS National Meeting , CINF 29
March 2006
Atlanta, GA
ABSTRACT PRESENTATION
Recent advances in de novo ligand design and optimisation
Krisztina Boda, A. Peter Johnson, Shane Weaver, Aniko T. Vigh, Vilmos A. Valko
7th International Conference on Chemical Structures
June 2005
Noordwijkerhout, The Netherlands
ABSTRACT
A role for chemoinformatics in structure-based de novo ligand design
A. Peter Johnson, Krisztina Boda, Tamas Lengyel, Shane Weaver, Aniko T. Vigh
228th ACS National Meeting, CINF 61
August 2004
Philadelphia, PA
ABSTRACT
Active binding site detection by flood docking a library of molecular fragments
Tamas Lengyel, A. Peter Johnson
3rd Joint Sheffield Conference on Chemoinformatics
April 2004
Sheffield, United Kingdom
ABSTRACT
A structural hierarchy for virtual library screening and as a tool for data analysis
Shane Weaver, A. Peter Johnson, Andrew Leach
3rd Joint Sheffield Conference on Chemoinformatics
April 2004
Sheffield, United Kingdom
ABSTRACT
Lone pair directionality in de novo drug design
Aniko T. Vigh
3rd Joint Sheffield Conference on Chemoinformatics
April 2004
Sheffield, United Kingdom
ABSTRACT
Generating synthetically accessible ligands by de novo design
Krisztina Boda, A. Peter Johnson
2nd Joint Sheffield Conference on Chemoinformatics
April 2001
Sheffield, United Kingdom
ABSTRACT PRESENTATION
Ligand docking from an infinite 3D database
A. Peter Johnson, Zsolt Zsoldos
4th International Conference on Chemical Structures
June 1996
Noordwijkerhout, The Netherlands
PRESENTATION
HIPPO: A program for prediction, visualisation and analysis of receptor-ligand interactions
Zsolt Zsoldos
MGMS meeting on Molecular Interactions
April 1996
York, United Kingdom
PRESENTATION
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