Vishwesh Venkatraman
Cited by
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HexServer: an FFT-based protein docking server powered by graphics processors
G Macindoe, L Mavridis, V Venkatraman, MD Devignes, DW Ritchie
Nucleic acids research 38 (suppl_2), W445-W449, 2010
Ultra-fast FFT protein docking on graphics processors
DW Ritchie, V Venkatraman
Bioinformatics 26 (19), 2398-2405, 2010
Protein-protein docking using region-based 3D Zernike descriptors
V Venkatraman, YD Yang, L Sael, D Kihara
BMC bioinformatics 10 (1), 1-21, 2009
Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods
V Venkatraman, VI PÚrez-Nueno, L Mavridis, DW Ritchie
Journal of chemical information and modeling 50 (12), 2079-2093, 2010
Potential for protein surface shape analysis using spherical harmonics and 3D Zernike descriptors
V Venkatraman, L Sael, D Kihara
Cell biochemistry and biophysics 54 (1), 23-32, 2009
Evaluation of mutual information and genetic programming for feature selection in QSAR
V Venkatraman, AR Dalby, ZR Yang
Journal of chemical information and computer sciences 44 (5), 1686-1692, 2004
3D-SURFER: software for high-throughput protein surface comparison and analysis
D La, J Esquivel-RodrÝguez, V Venkatraman, B Li, L Sael, S Ueng, ...
Bioinformatics 25 (21), 2843-2844, 2009
Application of 3D Zernike descriptors to shape-based ligand similarity searching
V Venkatraman, PR Chakravarthy, D Kihara
Journal of cheminformatics 1 (1), 1-19, 2009
Flexible protein docking refinement using pose‐dependent normal mode analysis
V Venkatraman, DW Ritchie
Proteins: Structure, Function, and Bioinformatics 80 (9), 2262-2274, 2012
A Quantitative Structure-Property Relationship Study of the Photovoltaic Performance of Phenothiazine Dyes
V Venkatraman, BK Alsberg
Dyes and Pigments, 2014
Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells
V Venkatraman, M Foscato, VR Jensen, BK Alsberg
Journal of Materials Chemistry A 3 (18), 9851-9860, 2015
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity
DW Ritchie, AW Ghoorah, L Mavridis, V Venkatraman
Bioinformatics 28 (24), 3274-3281, 2012
Automated design of realistic organometallic molecules from fragments
M Foscato, G Occhipinti, V Venkatraman, BK Alsberg, VR Jensen
Journal of chemical information and modeling 54 (3), 767-780, 2014
Predicting Ionic Liquid Melting Points using Machine Learning
V Venkatraman, S Evjen, H Knuutila, A Fiksdahl, B Alsberg
Journal of Molecular Liquids, 2018
Predicting CO2 capture of ionic liquids using machine learning
V Venkatraman, BK Alsberg
Journal of CO2 Utilization 21, 162-168, 2017
Artificial evolution of coumarin dyes for dye sensitized solar cells
V Venkatraman, S Abburu, BK Alsberg
Physical Chemistry Chemical Physics 17 (41), 27672-27682, 2015
Quantitative structure-property relationship modeling of Grńtzel solar cell dyes
V Venkatraman, P ┼strand, BK Alsberg
J Comput Chem., 2013
Local initiation conditions for water autoionization
M Moqadam, A Lervik, E Riccardi, V Venkatraman, BK Alsberg, ...
Proceedings of the National Academy of Sciences, 201714070, 2018
Automated building of organometallic complexes from 3D fragments
M Foscato, V Venkatraman, G Occhipinti, BK Alsberg, VR Jensen
Journal of chemical information and modeling 54 (7), 1919-1931, 2014
Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids
V Venkatraman, BK Alsberg
Journal of Molecular Liquids 223, 60-67, 2016
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Articles 1–20