eMatchSite: sequence order-independent structure alignments of ligand binding pockets in protein models. by Michal Brylinski

Get full text

FINDSITE: a threading-based approach to ligand homology modeling. by Michal Brylinski, Jeffrey Skolnick

Get full text

eThread: a highly optimized machine learning-based approach to meta-threading and the modeling of protein tertiary structures. by Michal Brylinski, Daswanth Lingam

Get full text

Comparative assessment of strategies to identify similar ligand-binding pockets in proteins by Rajiv Gandhi Govindaraj, Michal Brylinski

Get full text

Computational Redesign of Bacterial Biotin Carboxylase Inhibitors Using Structure-Based Virtual Screening of Combinatorial Libraries by Michal Brylinski, Grover L. Waldrop

Get full text

Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design by Wentao Shi, Manali Singha, Gopal Srivastava, Limeng Pu, J. Ramanujam, J. Ramanujam, Michal Brylinski, Michal Brylinski

Get full text

Augmented drug combination dataset to improve the performance of machine learning models predicting synergistic anticancer effects by Mengmeng Liu, Gopal Srivastava, J. Ramanujam, Michal Brylinski

Get full text

Insights from Augmented Data Integration and Strong Regularization in Drug Synergy Prediction with SynerGNet by Mengmeng Liu, Gopal Srivastava, J. Ramanujam, Michal Brylinski

Get full text

SynerGNet: A Graph Neural Network Model to Predict Anticancer Drug Synergy by Mengmeng Liu, Gopal Srivastava, J. Ramanujam, Michal Brylinski

Get full text

LIMITATION OF CONFORMATIONAL SPACE FOR PROTEINS – EARLY STAGE FOLDING SIMULATION OF HUMAN α AND β HEMOGLOBIN CHAINS by MICHAŁ BRYLIŃSKI, WIKTOR JURKOWSKI, LESZEK KONIECZNY, IRENA ROTERMAN

Get full text

Editorial: Structure and function of trans-membrane proteins by Irena Roterman, Michal Brylinski, Fabio Polticelli, Alexandre G. de Brevern

Get full text

GraphSite: Ligand Binding Site Classification with Deep Graph Learning by Wentao Shi, Manali Singha, Limeng Pu, Gopal Srivastava, Jagannathan Ramanujam, Michal Brylinski

Get full text

An integrated network representation of multiple cancer-specific data for graph-based machine learning by Limeng Pu, Manali Singha, Hsiao-Chun Wu, Costas Busch, J. Ramanujam, Michal Brylinski

Get full text

Prediction of functional sites based on the fuzzy oil drop model. by Michał Bryliński, Katarzyna Prymula, Wiktor Jurkowski, Marek Kochańczyk, Ewa Stawowczyk, Leszek Konieczny, Irena Roterman

Get full text

Identification of oral therapeutics using an AI platform against the virus responsible for COVID-19, SARS-CoV-2 by Adam Bess, Frej Berglind, Supratik Mukhopadhyay, Michal Brylinski, Chris Alvin, Fanan Fattah, Kishor M. Wasan

Get full text

Hinge Region in DNA Packaging Terminase pUL15 of Herpes Simplex Virus: A Potential Allosteric Target for Antiviral Drugs by Lana F. Thaljeh, J. Ainsley Rothschild, Misagh Naderi, Lyndon M. Coghill, Jeremy M. Brown, Michal Brylinski

Get full text

GraphDTI: A robust deep learning predictor of drug-target interactions from multiple heterogeneous data by Guannan Liu, Manali Singha, Limeng Pu, Prasanga Neupane, Joseph Feinstein, Hsiao-Chun Wu, J. Ramanujam, Michal Brylinski

Get full text

GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing. by Ye Fang, Yun Ding, Wei P Feinstein, David M Koppelman, Juana Moreno, Mark Jarrell, J Ramanujam, Michal Brylinski

Get full text

Artificial intelligence to guide precision anticancer therapy with multitargeted kinase inhibitors by Manali Singha, Limeng Pu, Brent A. Stanfield, Ifeanyi K. Uche, Paul J. F. Rider, Konstantin G. Kousoulas, J. Ramanujam, Michal Brylinski

Get full text