Vishwesh Venkatraman

22 papers Journal 20Unranked 2
YearRankTypeTitle / Venue / Authors
2024 J jnl
The Area Law of Molecular Entropy: Moving beyond Harmonic Approximation.
Entropy
Amitava Roy, Tibra Ali, Vishwesh Venkatraman
2021 J jnl
FP-ADMET: a compendium of fingerprint-based ADMET prediction models.
J. Cheminformatics
Vishwesh Venkatraman
2020 J jnl
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides.
Data
Vishwesh Venkatraman, Kallidanthiyil Chellappan Lethesh
2019 J jnl
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules.
J. Chem. Inf. Model.
Marco Foscato, Vishwesh Venkatraman, Vidar R. Jensen
2019 J jnl
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.
Data
Vishwesh Venkatraman, Sigvart Evjen, Kallidanthiyil Chellappan Lethesh
2018 J jnl
The dye-sensitized solar cell database.
J. Cheminformatics
Vishwesh Venkatraman, Rajesh Raju, Solon P. Oikonomopoulos, Bjørn K. Alsberg
2014 J jnl
Automated Building of Organometallic Complexes from 3D Fragments.
J. Chem. Inf. Model.
Marco Foscato, Vishwesh Venkatraman, Giovanni Occhipinti, Bjørn K. Alsberg, Vidar R. Jensen
2014 J jnl
Automated Design of Realistic Organometallic Molecules from Fragments.
J. Chem. Inf. Model.
Marco Foscato, Giovanni Occhipinti, Vishwesh Venkatraman, Bjørn K. Alsberg, Vidar R. Jensen
2014 J jnl
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
J. Comput. Chem.
Vishwesh Venkatraman, Per-Olof Åstrand, Bjørn Kåre Alsberg
2012 J jnl
Detecting Drug Promiscuity Using Gaussian Ensemble Screening.
J. Chem. Inf. Model.
Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie
2012 J jnl
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.
Bioinform.
David W. Ritchie, Anisah W. Ghoorah, Lazaros Mavridis, Vishwesh Venkatraman
2012 J jnl
Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach.
Int. J. Swarm Intell. Res.
Vishwesh Venkatraman, David W. Ritchie
2011 J jnl
Predicting drug polypharmacology using a novel surface property similarity-based approach.
J. Cheminformatics
Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie
2010 J jnl
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods.
J. Chem. Inf. Model.
Vishwesh Venkatraman, Violeta I. Pérez-Nueno, Lazaros Mavridis, David W. Ritchie
2010 J jnl
HexServer: an FFT-based protein docking server powered by graphics processors.
Nucleic Acids Res.
Gary Macindoe, Lazaros Mavridis, Vishwesh Venkatraman, Marie-Dominique Devignes, David W. Ritchie
2010 — conf
SHREC'10 Track: Protein Model Classification.
3DOR@Eurographics
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, Petros Daras
2010 J jnl
Ultra-fast FFT protein docking on graphics processors.
Bioinform.
David W. Ritchie, Vishwesh Venkatraman
2010 — conf
Using Graphics Processors to Accelerate Protein Docking Calculations.
HealthGrid
David W. Ritchie, Vishwesh Venkatraman, Lazaros Mavridis
2009 J jnl
3D-SURFER: software for high-throughput protein surface comparison and analysis.
Bioinform.
David La, Juan Esquivel-Rodríguez, Vishwesh Venkatraman, Bin Li, Lee Sael, Stephen Ueng, Steven Ahrendt, Daisuke Kihara
2009 J jnl
Application of 3D Zernike descriptors to shape-based ligand similarity searching.
J. Cheminformatics
Vishwesh Venkatraman, Padmasini Chakravarthy, Daisuke Kihara
2009 J jnl
Protein-protein docking using region-based 3D Zernike descriptors.
BMC Bioinform.
Vishwesh Venkatraman, Yifeng D. Yang, Lee Sael, Daisuke Kihara
2004 J jnl
Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR.
J. Chem. Inf. Model.
Vishwesh Venkatraman, Andrew R. Dalby, Zheng Rong Yang