Augmented drug combination dataset to improve the performance of machine learning models predicting synergistic anticancer effects, Mengmeng Liu#, Gopal Srivastava#, J. Ramanujam and M Brylinski, Nature Scientifc Reports, https://doi.org/10.1038/s41598-024-51940-9 (#: Equal contribution)
Unlocking the potential of kinase targets in cancer: insights from CancerOmicsNet, an AI-driven approach to drug response prediction in cancer
Manali Singha, Limeng Pu, Gopal Srivastava, Xialong Ni, Brent A Stanfield, Ifeanyi K Uche, Paul JF Rider, Konstantin G Kousoulas, J Ramanujam, Michal Brylinski, Cancers 15 (16), 4050
GutBug: A Tool for Prediction of Human Gut Bacteria Mediated Biotransformation of Biotic and Xenobiotic Molecules Using Machine Learning
AS Malwe, GN Srivastava, VK Sharma, Journal of Molecular Biology, 168056
MP4: a machine learning based classification tool for prediction and functional annotation of pathogenic proteins from metagenomic and genomic datasets
A Gupta, AS Malwe, GN Srivastava, P Thoudam, K Hibare, VK Sharma, BMC bioinformatics 23 (1), 1-17
GraphSite: Ligand Binding Site Classification with Deep Graph Learning
W Shi, M Singha, L Pu, G Srivastava, J Ramanujam, M Brylinski, Biomolecules 12 (8), 1053
Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design
Shi W, Singha M, Srivastava G, Pu L, Ramanujam J, Brylinski M*, Frontiers in Pharmacology 13, 837715-837715
Discovery of a tetracyclic indole alkaloid that postpones fibrillation of hen egg white lysozyme protein
H Ashrafian, EH Zadeh, M Tajbakhsh, N Majid, GN Srivastava, RH Khan, International Journal of Biological Macromolecules 183, 1939-1947
Molib: A machine learning based classification tool for the prediction of biofilm inhibitory molecules
GN Srivastava, AS Malwe, AK Sharma, V Shastri, K Hibare, VK Sharma, Genomics Journal 112 (4), 2823-2832
Mechanistic and structural insight into promiscuity based metabolism of cardiac drug digoxin by gut microbial enzyme
K Kumar, SK Jaiswal, GV Dhoke, GN Srivastava, AK Sharma, VK Sharma, Journal of Cellular Biochemistry 119 (7), 5287-5296
ToxiM: a toxicity prediction tool for small molecules developed using machine learning and chemoinformatics approaches
AK Sharma, GN Srivastava, A Roy, VK Sharma, Frontiers in pharmacology 8, 880
Synthesis and evaluation of oxindoles as promising inhibitors of the immunosuppressive enzyme indoleamine 2, 3-dioxygenase 1
S Paul, A Roy, SJ Deka, S Panda, GN Srivastava, V Trivedi, D Manna, Medchemcomm 8 (8), 1640-1654
Neural network for the prediction of force differences between an amino acid in solution and vacuum [1]Â
Gopal N Srivastava, Rafael Bruschweiler
SynerGNet: A Graph Neural Network Model to Predict Anticancer Drug Synergy, Mengmeng Liu#, Gopal Srivastava#, J. Ramanujam, Michal Brylinski *, MDPI Bioscience, (#: Equal contribution)