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Journal of Chemical Information and Modeling
|
November 29, 2005
McQSAR: a multiconformational quantitative structure-activity relationship engine driven by genetic algorithms
Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
September 26, 2007
Generating conformer ensembles using a multiobjective genetic algorithm
Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
June 5, 2012
Automated recycling of chemistry for virtual screening and library design
Mikko J Vainio, Thierry Kogej, Florian Raubacher
Journal of Computational Chemistry
|
December 19, 2009
Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery
J Santeri Puranen, Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
May 13, 2009
ShaEP: molecular overlay based on shape and electrostatic potential
Mikko J Vainio, J Santeri Puranen, Mark S Johnson
Journal of Chemical Information and Modeling
|
July 6, 2013
Scaffold hopping by fragment replacement
Mikko J Vainio, Thierry Kogej, Florian Raubacher, et al.
Journal of Chemical Information and Modeling
|
July 31, 2018
Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation
Robert M Hanson, Sophia Musacchio, John W Mayfield, et al.
Journal of Medicinal Chemistry
|
March 31, 2006
Similarity based virtual screening: a tool for targeted library design
Joni K O Alvesalo, Antti Siiskonen, Mikko J Vainio, et al.
Drug Discovery Today
|
November 7, 2012
Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case
Thierry Kogej, Niklas Blomberg, Peter J Greasley, et al.
Journal of Agricultural and Food Chemistry
|
August 15, 2008
Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin
Laura H Riihimäki, Mikko J Vainio, Jonna M S Heikura, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
November 29, 2005
McQSAR: a multiconformational quantitative structure-activity relationship engine driven by genetic algorithms
Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
September 26, 2007
Generating conformer ensembles using a multiobjective genetic algorithm
Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
June 5, 2012
Automated recycling of chemistry for virtual screening and library design
Mikko J Vainio, Thierry Kogej, Florian Raubacher
Journal of Computational Chemistry
|
December 19, 2009
Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery
J Santeri Puranen, Mikko J Vainio, Mark S Johnson
Journal of Chemical Information and Modeling
|
May 13, 2009
ShaEP: molecular overlay based on shape and electrostatic potential
Mikko J Vainio, J Santeri Puranen, Mark S Johnson
Journal of Chemical Information and Modeling
|
July 6, 2013
Scaffold hopping by fragment replacement
Mikko J Vainio, Thierry Kogej, Florian Raubacher, et al.
Journal of Chemical Information and Modeling
|
July 31, 2018
Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation
Robert M Hanson, Sophia Musacchio, John W Mayfield, et al.
Journal of Medicinal Chemistry
|
March 31, 2006
Similarity based virtual screening: a tool for targeted library design
Joni K O Alvesalo, Antti Siiskonen, Mikko J Vainio, et al.
Drug Discovery Today
|
November 7, 2012
Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case
Thierry Kogej, Niklas Blomberg, Peter J Greasley, et al.
Journal of Agricultural and Food Chemistry
|
August 15, 2008
Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin
Laura H Riihimäki, Mikko J Vainio, Jonna M S Heikura, et al.
Page
of 2