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Vishwesh Venkatraman
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2020 – today
- 2024
- [j20]Amitava Roy
, Tibra Ali
The Area Law of Molecular Entropy: Moving beyond Harmonic Approximation. Entropy 26(8): 688 (2024) - 2021
- [j19]Vishwesh Venkatraman
FP-ADMET: a compendium of fingerprint-based ADMET prediction models. J. Cheminformatics 13(1): 75 (2021) - 2020
- [j18]Vishwesh Venkatraman
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data 5(2): 45 (2020)
2010 – 2019
- 2019
- [j17]Vishwesh Venkatraman
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. Data 4(2): 88 (2019) - [j16]Marco Foscato
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. J. Chem. Inf. Model. 59(10): 4077-4082 (2019) - 2018
- [j15]Vishwesh Venkatraman
The dye-sensitized solar cell database. J. Cheminformatics 10(1): 18:1-18:9 (2018) - 2014
- [j14]Vishwesh Venkatraman
Quantitative structure-property relationship modeling of Grätzel solar cell dyes. J. Comput. Chem. 35(3): 214-226 (2014) - [j13]Marco Foscato
Automated Design of Realistic Organometallic Molecules from Fragments. J. Chem. Inf. Model. 54(3): 767-780 (2014) - [j12]Marco Foscato
Automated Building of Organometallic Complexes from 3D Fragments. J. Chem. Inf. Model. 54(7): 1919-1931 (2014) - 2012
- [j11]David W. Ritchie
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity. Bioinform. 28(24): 3274-3281 (2012) - [j10]Vishwesh Venkatraman
Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach. Int. J. Swarm Intell. Res. 3(3): 19-31 (2012) - [j9]Violeta I. Pérez-Nueno, Vishwesh Venkatraman
Detecting Drug Promiscuity Using Gaussian Ensemble Screening. J. Chem. Inf. Model. 52(8): 1948-1961 (2012) - 2011
- [j8]Violeta I. Pérez-Nueno, Vishwesh Venkatraman
Predicting drug polypharmacology using a novel surface property similarity-based approach. J. Cheminformatics 3(S-1): 19 (2011) - 2010
- [j7]David W. Ritchie
Ultra-fast FFT protein docking on graphics processors. Bioinform. 26(19): 2398-2405 (2010) - [j6]Vishwesh Venkatraman
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods. J. Chem. Inf. Model. 50(12): 2079-2093 (2010) - [j5]Gary Macindoe, Lazaros Mavridis
HexServer: an FFT-based protein docking server powered by graphics processors. Nucleic Acids Res. 38(Web-Server-Issue): 445-449 (2010) - [c2]Lazaros Mavridis
SHREC'10 Track: Protein Model Classification. 3DOR@Eurographics 2010: 117-124 - [c1]David W. Ritchie
Using Graphics Processors to Accelerate Protein Docking Calculations. HealthGrid 2010: 146-155
2000 – 2009
- 2009
- [j4]David La, Juan Esquivel-Rodríguez
3D-SURFER: software for high-throughput protein surface comparison and analysis. Bioinform. 25(21): 2843-2844 (2009) - [j3]Vishwesh Venkatraman
Protein-protein docking using region-based 3D Zernike descriptors. BMC Bioinform. 10: 407 (2009) - [j2]Vishwesh Venkatraman
Application of 3D Zernike descriptors to shape-based ligand similarity searching. J. Cheminformatics 1: 19 (2009) - 2004
- [j1]Vishwesh Venkatraman
Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR. J. Chem. Inf. Model. 44(5): 1686-1692 (2004)
Coauthor Index
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