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Vishwesh Venkatraman
Vishwesh Venkatraman
Lonza Biologics
Verified email at lonza.com - Homepage
Title
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Cited by
Year
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
7282010
Ultra-fast FFT protein docking on graphics processors
DW Ritchie, V Venkatraman
Bioinformatics 26 (19), 2398-2405, 2010
4322010
Protein-protein docking using region-based 3D Zernike descriptors
V Venkatraman, YD Yang, L Sael, D Kihara
BMC bioinformatics 10, 1-21, 2009
2092009
Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods
V Venkatraman, VI Pérez-Nueno, L Mavridis, DW Ritchie
Journal of chemical information and modeling 50 (12), 2079-2093, 2010
1472010
Potential for protein surface shape analysis using spherical harmonics and 3D Zernike descriptors
V Venkatraman, L Sael, D Kihara
Cell biochemistry and biophysics 54, 23-32, 2009
1142009
3D-SURFER: software for high-throughput protein surface comparison and analysis
D La, J Esquivel-Rodríguez, V Venkatraman, B Li, L Sael, S Ueng, ...
Bioinformatics 25 (21), 2843-2844, 2009
902009
Predicting CO2 capture of ionic liquids using machine learning
V Venkatraman, BK Alsberg
Journal of CO2 Utilization 21, 162-168, 2017
842017
Predicting Ionic Liquid Melting Points using Machine Learning
V Venkatraman, S Evjen, H Knuutila, A Fiksdahl, B Alsberg
Journal of Molecular Liquids, 2018
802018
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
782004
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
692018
Benzotriazoles, benzothiazoles and trace elements in an urban road setting in Trondheim, Norway: Re-visiting the chemical markers of traffic pollution
J Asheim, K Vike-Jonas, SV Gonzalez, S Lierhagen, V Venkatraman, ...
Science of the total environment 649, 703-711, 2019
662019
Application of 3D Zernike descriptors to shape-based ligand similarity searching
V Venkatraman, PR Chakravarthy, D Kihara
Journal of cheminformatics 1, 1-19, 2009
652009
Flexible protein docking refinement using pose‐dependent normal mode analysis
V Venkatraman, DW Ritchie
Proteins: Structure, Function, and Bioinformatics 80 (9), 2262-2274, 2012
622012
The dye-sensitized solar cell database
V Venkatraman, R Raju, SP Oikonomopoulos, BK Alsberg
Journal of Cheminformatics 10, 1-9, 2018
582018
FP-ADMET: a compendium of fingerprint-based ADMET prediction models
V Venkatraman
Journal of Cheminformatics 13 (1), 2021
532021
Highly efficient cellulose dissolution by alkaline ionic liquids
KC Lethesh, S Evjen, V Venkatraman, SN Shah, A Fiksdahl
Carbohydrate polymers 229, 115594, 2020
532020
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
532014
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
522012
Rapid, comprehensive screening of ionic liquids towards sustainable applications
V Venkatraman, S Evjen, KC Lethesh, JJ Raj, HK Knuutila, A Fiksdahl
Sustainable Energy & Fuels 3 (10), 2798-2808, 2019
502019
A Quantitative Structure-Property Relationship Study of the Photovoltaic Performance of Phenothiazine Dyes
V Venkatraman, BK Alsberg
Dyes and Pigments, 2014
472014
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Articles 1–20