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

Journal of chemical information and modeling, 2022-01, Vol.62 (2), p.412-422

2022

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

PLoS computational biology, 2018-01, Vol.14 (1), p.e1005929-e1005929

2018

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Mutations Strengthened SARS-CoV-2 Infectivity

Journal of molecular biology, 2020-09, Vol.432 (19), p.5212-5226

2020

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Omicron BA.2 (B.1.1.529.2): High Potential for Becoming the Next Dominant Variant

The journal of physical chemistry letters, 2022-05, Vol.13 (17), p.3840-3849

2022

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

PLoS computational biology, 2017-07, Vol.13 (7), p.e1005690-e1005690

2017

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Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies

Chemical science (Cambridge), 2021-05, Vol.12 (2), p.6929-6948

2021

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

Journal of chemical information and modeling, 2019-07, Vol.59 (7), p.3291-3304

2019

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Mechanisms of SARS-CoV‑2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America

The journal of physical chemistry letters, 2021-12, Vol.12 (49), p.11850-11857

2021

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Algebraic graph-assisted bidirectional transformers for molecular property prediction

Nature communications, 2021-06, Vol.12 (1), p.3521-9, Article 3521

2021

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Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology

Bioinformatics, 2017-11, Vol.33 (22), p.3549

2017

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A review of mathematical representations of biomolecular data

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (8), p.4343-4367

2020

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Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks

Journal of chemical information and modeling, 2018-02, Vol.58 (2), p.520-531

2018

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Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries

Genomics (San Diego, Calif.), 2021-07, Vol.113 (4), p.2158-2170

2021

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Mutations on COVID-19 diagnostic targets

Genomics (San Diego, Calif.), 2020-11, Vol.112 (6), p.5204-5213

2020

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Repositioning of 8565 Existing Drugs for COVID-19

The journal of physical chemistry letters, 2020-07, Vol.11 (13), p.5373-5382

2020

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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Journal of computer-aided molecular design, 2019-01, Vol.33 (1), p.71-82

2019

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Decoding SARS-CoV‑2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5853-5865

2020

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GGL-Tox: Geometric Graph Learning for Toxicity Prediction

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1691-1700

2021

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Generative Network Complex for the Automated Generation of Drug-like Molecules

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5682-5698

2020

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Noble-metal-free molybdenum phosphide co-catalyst loaded graphitic carbon nitride for efficient photocatalysis under simulated irradiation

Journal of catalysis, 2019-02, Vol.370, p.79-87

2019

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Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning

Chemical science (Cambridge), 2020-09, Vol.11 (44), p.1236-1246

2020

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Ball-flower like NiO/g-C3N4 heterojunction for efficient visible light photocatalytic CO2 reduction

Applied catalysis. B, Environmental, 2018-12, Vol.237, p.802-810

2018

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Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants

Communications biology, 2021-02, Vol.4 (1), p.228-228, Article 228

2021

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PLPCA: Persistent Laplacian-Enhanced PCA for Microarray Data Analysis

Journal of chemical information and modeling, 2024-04, Vol.64 (7), p.2405-2420

2024

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Host Immune Response Driving SARS-CoV-2 Evolution

Viruses, 2020-09, Vol.12 (10), p.1095

2020

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

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

Mutations Strengthened SARS-CoV-2 Infectivity

Omicron BA.2 (B.1.1.529.2): High Potential for Becoming the Next Dominant Variant

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

Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies

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

Mechanisms of SARS-CoV‑2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America

Algebraic graph-assisted bidirectional transformers for molecular property prediction

Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology

A review of mathematical representations of biomolecular data

Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks

Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries

Mutations on COVID-19 diagnostic targets

Repositioning of 8565 Existing Drugs for COVID-19

Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Decoding SARS-CoV‑2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine

GGL-Tox: Geometric Graph Learning for Toxicity Prediction

Generative Network Complex for the Automated Generation of Drug-like Molecules

Noble-metal-free molybdenum phosphide co-catalyst loaded graphitic carbon nitride for efficient photocatalysis under simulated irradiation

Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning

Ball-flower like NiO/g-C3N4 heterojunction for efficient visible light photocatalytic CO2 reduction

Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants

PLPCA: Persistent Laplacian-Enhanced PCA for Microarray Data Analysis

Host Immune Response Driving SARS-CoV-2 Evolution

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