Lista de obras -

A review of mathematical representations of biomolecular data

scientific article published on 01 February 2020

AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding Scoring, Ranking, Docking, and Screening

scientific article published on 01 July 2019

Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies.

artículo científico publicado en 2017

Are 2D fingerprints still valuable for drug discovery?

scientific article published on 08 April 2020

Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets

scientific article published on 03 February 2020

Breaking the polar-nonpolar division in solvation free energy prediction.

artículo científico publicado en 2017

Characterizing SARS-CoV-2 mutations in the United States

scientific article published on 11 August 2020

DG-GL: Differential geometry-based geometric learning of molecular datasets.

artículo científico publicado en 2019

Decoding Asymptomatic COVID-19 Infection and Transmission

artículo científico publicado en 2020

Generative Models for Molecular Design

scientific article published on 01 December 2020

Host Immune Response Driving SARS-CoV-2 Evolution

artículo científico publicado en 2020

Integration of element specific persistent homology and machine learning for protein-ligand binding affinity prediction

artículo científico publicado en 2017

Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome Networks

artículo científico publicado en 2022

MathDL: mathematical deep learning for D3R Grand Challenge 4

artículo científico publicado en 2019

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

publication published on 20 May 2022

Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance

artículo científico publicado en 2022

Quantitative toxicity prediction using topology based multi-task deep neural networks.

artículo científico publicado en 2018

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening

artículo científico publicado en 2018

Rigidity Strengthening: A Mechanism for Protein-Ligand Binding.

artículo científico publicado en 2017

Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter

artículo científico publicado en 2023

The de Rham-Hodge Analysis and Modeling of Biomolecules

artículo científico publicado en 2020

TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.

artículo científico publicado en 2018

TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions.

artículo científico publicado en 2017

Lista de obras de

A review of mathematical representations of biomolecular data

AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding Scoring, Ranking, Docking, and Screening

Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies.

Are 2D fingerprints still valuable for drug discovery?

Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets

Breaking the polar-nonpolar division in solvation free energy prediction.

Characterizing SARS-CoV-2 mutations in the United States

DG-GL: Differential geometry-based geometric learning of molecular datasets.

Decoding Asymptomatic COVID-19 Infection and Transmission

Generative Models for Molecular Design

Host Immune Response Driving SARS-CoV-2 Evolution

Integration of element specific persistent homology and machine learning for protein-ligand binding affinity prediction

Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome Networks

MathDL: mathematical deep learning for D3R Grand Challenge 4

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance

Quantitative toxicity prediction using topology based multi-task deep neural networks.

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening

Rigidity Strengthening: A Mechanism for Protein-Ligand Binding.

Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter

The de Rham-Hodge Analysis and Modeling of Biomolecules

TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.

TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions.