Vishwesh Venkatraman - researchr alias

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Viewing Publication 1 - 21 from 21

2021

FP-ADMET: a compendium of fingerprint-based ADMET prediction modelsVishwesh Venkatraman. jcheminf, 13(1):75, 2021. [doi]

2020

An Open Access Data Set Highlighting Aggregation of Dyes on Metal OxidesVishwesh Venkatraman, Kallidanthiyil Chellappan Lethesh. data, 5(2):45, 2020. [doi]

2019

DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic MoleculesMarco Foscato, Vishwesh Venkatraman, Vidar R. Jensen. jcisd, 59(10):4077-4082, 2019. [doi]

The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific SolventsVishwesh Venkatraman, Sigvart Evjen, Kallidanthiyil Chellappan Lethesh. data, 4(2):88, 2019. [doi]

2018

The dye-sensitized solar cell databaseVishwesh Venkatraman, Rajesh Raju, Solon P. Oikonomopoulos, Bjørn K. Alsberg. jcheminf, 10(1), 2018. [doi]

2014

2012

Detecting Drug Promiscuity Using Gaussian Ensemble ScreeningVioleta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie. jcisd, 52(8):1948-1961, 2012. [doi]

Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarityDavid W. Ritchie, Anisah W. Ghoorah, Lazaros Mavridis, Vishwesh Venkatraman. bioinformatics, 28(24):3274-3281, 2012. [doi]

Predicting Multi-Component Protein Assemblies Using an Ant Colony ApproachVishwesh Venkatraman, David W. Ritchie. ijsir, 3(3):19-31, 2012. [doi]

2011

Predicting drug polypharmacology using a novel surface property similarity-based approachVioleta I. Perez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie. jcheminf, 3(S-1):19, 2011. [doi]

2010

HexServer: an FFT-based protein docking server powered by graphics processorsGary Macindoe, Lazaros Mavridis, Vishwesh Venkatraman, Marie-Dominique Devignes, David W. Ritchie. nar, 38(Web-Server-Issue):445-449, 2010. [doi]

SHREC 10 Track: Protein Model ClassificationLazaros Mavridis, Vishwesh Venkatraman, David W. Ritchie, Naoto Morikawa, Rumen Andonov, Alexandre Cornu, Noël Malod-Dognin, Jacques Nicolas, Maja Temerinac-Ott, Marco Reisert, Hans Burkhardt, Apostolos Axenopoulos, Petros Daras. 3dor 2010: 117-124 [doi]

Ultra-fast FFT protein docking on graphics processorsDavid W. Ritchie, Vishwesh Venkatraman. bioinformatics, 26(19):2398-2405, 2010. [doi]

Using Graphics Processors to Accelerate Protein Docking CalculationsDavid W. Ritchie, Vishwesh Venkatraman, Lazaros Mavridis. healthgrid 2010: 146-155 [doi]

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D MethodsVishwesh Venkatraman, Violeta I. Pérez-Nueno, Lazaros Mavridis, David W. Ritchie. jcisd, 50(12):2079-2093, 2010. [doi]

2009

2004

Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSARVishwesh Venkatraman, Andrew R. Dalby, Zheng Rong Yang. jcisd, 44(5):1686-1692, 2004. [doi]

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