Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR. - Vishwesh Venkatraman; Andrew R. Dalby; Zheng Rong Yang (J. Chem. Inf. Model., 2004)

3D-SURFER: software for high-throughput protein surface comparison and analysis. - David La; Juan Esquivel-Rodríguez; Vishwesh Venkatraman; Bin Li; Lee Sael; Stephen Ueng; Steven Ahrendt; Daisuke Kihara (Bioinform., 2009)

Protein-protein docking using region-based 3D Zernike descriptors. - Vishwesh Venkatraman; Yifeng D. Yang; Lee Sael; Daisuke Kihara (BMC Bioinform., 2009)

Application of 3D Zernike descriptors to shape-based ligand similarity searching. - Vishwesh Venkatraman; Padmasini Chakravarthy; Daisuke Kihara (J. Cheminformatics, 2009)

SHREC'10 Track: Protein Model Classification. - Lazaros 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; et al. (3DOR@Eurographics, 2010)

Using Graphics Processors to Accelerate Protein Docking Calculations. - David W. Ritchie; Vishwesh Venkatraman; Lazaros Mavridis (HealthGrid, 2010)

Ultra-fast FFT protein docking on graphics processors. - David W. Ritchie; Vishwesh Venkatraman (Bioinform., 2010)

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods. - Vishwesh Venkatraman; Violeta I. Pérez-Nueno; Lazaros Mavridis; David W. Ritchie (J. Chem. Inf. Model., 2010)

HexServer: an FFT-based protein docking server powered by graphics processors. - Gary Macindoe; Lazaros Mavridis; Vishwesh Venkatraman; Marie-Dominique Devignes; David W. Ritchie (Nucleic Acids Res., 2010)

Predicting drug polypharmacology using a novel surface property similarity-based approach. - Violeta I. Pérez-Nueno; Vishwesh Venkatraman; Lazaros Mavridis; David W. Ritchie (J. Cheminformatics, 2011)

Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity. - David W. Ritchie; Anisah W. Ghoorah; Lazaros Mavridis; Vishwesh Venkatraman (Bioinform., 2012)

Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach. - Vishwesh Venkatraman; David W. Ritchie (Int. J. Swarm Intell. Res., 2012)

Detecting Drug Promiscuity Using Gaussian Ensemble Screening. - Violeta I. Pérez-Nueno; Vishwesh Venkatraman; Lazaros Mavridis; David W. Ritchie (J. Chem. Inf. Model., 2012)

Quantitative structure-property relationship modeling of Grätzel solar cell dyes. - Vishwesh Venkatraman; Per-Olof Åstrand; Bjørn Kåre Alsberg (J. Comput. Chem., 2014)

Automated Design of Realistic Organometallic Molecules from Fragments. - Marco Foscato; Giovanni Occhipinti; Vishwesh Venkatraman; Bjørn K. Alsberg; Vidar R. Jensen (J. Chem. Inf. Model., 2014)

Automated Building of Organometallic Complexes from 3D Fragments. - Marco Foscato; Vishwesh Venkatraman; Giovanni Occhipinti; Bjørn K. Alsberg; Vidar R. Jensen (J. Chem. Inf. Model., 2014)

The dye-sensitized solar cell database. - Vishwesh Venkatraman; Rajesh Raju; Solon P. Oikonomopoulos; Bjørn K. Alsberg (J. Cheminformatics, 2018)

The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. - Vishwesh Venkatraman; Sigvart Evjen; Kallidanthiyil Chellappan Lethesh (Data, 2019)

DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. - Marco Foscato; Vishwesh Venkatraman; Vidar R. Jensen (J. Chem. Inf. Model., 2019)

An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. - Vishwesh Venkatraman; Kallidanthiyil Chellappan Lethesh (Data, 2020)

FP-ADMET: a compendium of fingerprint-based ADMET prediction models. - Vishwesh Venkatraman (J. Cheminformatics, 2021)

The Area Law of Molecular Entropy: Moving beyond Harmonic Approximation. - Amitava Roy; Tibra Ali; Vishwesh Venkatraman (Entropy, 2024)