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List of works by Mikko J Vainio

Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery

scientific article published on 01 June 2010

Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

scientific article published on 17 August 2018

Automated recycling of chemistry for virtual screening and library design

scientific article

Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case

scientific article

Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin

scientific article published on 14 August 2008

Generating conformer ensembles using a multiobjective genetic algorithm

scientific article published on 25 September 2007

McQSAR: a multiconformational quantitative structure-activity relationship engine driven by genetic algorithms

scientific article published in November 2005

Scaffold hopping by fragment replacement

scientific article published on 11 July 2013

ShaEP: molecular overlay based on shape and electrostatic potential

scientific article

Similarity based virtual screening: a tool for targeted library design

scientific article published in April 2006

The binding of synthetic retinoids to lipocalin beta-lactoglobulins

scientific article published in January 2010

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