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List of works by Vishwesh Venkatraman

Artificial evolution of coumarin dyes for dye sensitized solar cells.

scientific article

Automated building of organometallic complexes from 3D fragments

scientific article published on 16 July 2014

Automated design of realistic organometallic molecules from fragments

scientific article

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

scientific article published on 25 August 2018

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

scientific article

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.

scientific article published on 22 January 2018

Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids

scientific article published on 03 September 2019

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

scientific article published on 01 September 2004

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

scientific article published on 24 January 2012

Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity ⬇️

scientific article published on October 23, 2012

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

scientific article published on 18 June 2012

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

scientific article

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.

scientific article

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

scientific article published in 2022

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

scientific article published on 19 April 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.

scientific article published on 12 November 2013

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

scientific article

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

scientific article published on 3 April 2018

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

scientific article published on 22 December 2010

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