Lista de obras -

Artificial evolution of coumarin dyes for dye sensitized solar cells.

artículo científico publicado en 2015

Automated building of organometallic complexes from 3D fragments

artículo científico publicado en 2014

Automated design of realistic organometallic molecules from fragments

artículo científico publicado en 2014

Benzotriazoles, benzothiazoles and trace elements in an urban road setting in Trondheim, Norway: Re-visiting the chemical markers of traffic pollution

artículo científico publicado en 2018

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

artículo científico publicado en 2010

DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules

scientific article published on 18 September 2019

Designing High-Refractive Index Polymers Using Materials Informatics.

artículo científico publicado en 2018

Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids

artículo científico publicado en 2019

Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR

artículo científico publicado en 2004

Exploring c-Met kinase flexibility by sampling and clustering its conformational space.

artículo científico publicado en 2012

Flexible protein docking refinement using pose-dependent normal mode analysis.

artículo científico publicado en 2012

HexServer: an FFT-based protein docking server powered by graphics processors.

artículo científico publicado en 2010

Hydroxyl Functionalized Pyridinium Ionic Liquids: Experimental and Theoretical Study on Physicochemical and Electrochemical Properties

scientific article published on 18 September 2019

KRAKENX: software for the generation of alignment-independent 3D descriptors

scientific article published on 29 March 2016

Local initiation conditions for water autoionization.

artículo científico publicado en 2018

On the value of popular crystallographic databases for machine learning prediction of space groups

artículo científico publicado en 2022

Predicting drug polypharmacology using a novel surface property similarity-based approach.

artículo científico publicado en 2011

Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania

scientific article published on 18 November 2019

Quantitative structure-property relationship modeling of Grätzel solar cell dyes.

artículo científico publicado en 2013

Representing and comparing protein folds and fold families using three-dimensional shape-density representations.

artículo científico publicado en 2011

Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation

scientific article published on 18 May 2020

The dye-sensitized solar cell database.

artículo científico publicado en 2018

Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening

artículo científico publicado en 2010

Lista de obras de

Artificial evolution of coumarin dyes for dye sensitized solar cells.

Automated building of organometallic complexes from 3D fragments

Automated design of realistic organometallic molecules from fragments

Benzotriazoles, benzothiazoles and trace elements in an urban road setting in Trondheim, Norway: Re-visiting the chemical markers of traffic pollution

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules

Designing High-Refractive Index Polymers Using Materials Informatics.

Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids

Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR

Exploring c-Met kinase flexibility by sampling and clustering its conformational space.

Flexible protein docking refinement using pose-dependent normal mode analysis.

HexServer: an FFT-based protein docking server powered by graphics processors.

Hydroxyl Functionalized Pyridinium Ionic Liquids: Experimental and Theoretical Study on Physicochemical and Electrochemical Properties

KRAKENX: software for the generation of alignment-independent 3D descriptors

Local initiation conditions for water autoionization.

On the value of popular crystallographic databases for machine learning prediction of space groups

Predicting drug polypharmacology using a novel surface property similarity-based approach.

Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania

Quantitative structure-property relationship modeling of Grätzel solar cell dyes.

Representing and comparing protein folds and fold families using three-dimensional shape-density representations.

Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation

The dye-sensitized solar cell database.

Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening