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Gai-Li Li

school of mathematics and computer science

H指数:11

被引数:475

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3D Geometric Equivariant Graph Neural Networks with Contrastive Learning for Protein–Ligand Binding Affinity Prediction

3D几何等变图神经网络结合对比学习用于蛋白质-配体结合亲和力预测

Interdisciplinary Sciences-Computational Life Sciences

IF3.9

2026-08-260

PRE

A geometric rotation-equivariant spherical convolutional and gaussian radial basis network for predicting protein-ligand binding affinity

几何旋转等变球面卷积和高斯径向基网络用于预测蛋白质-配体结合亲和力

Multimedia Systems

IF3.1

2026-07-280

PRE

Relevance of 3D Rotationally Equivariant Neural Networks for Predicting Protein-Ligand Binding Affinities

3D Rotationally Equivariant Neural Networks在预测蛋白质-配体结合亲和力中的相关性

interdisciplinary sciences computational life sciences

IF0

2025-08-140

PRE

A spatial-temporal graph attention network for protein-ligand binding affinity prediction based on molecular geometry

基于分子几何的蛋白质-配体结合亲和力预测的时空图注意网络

MULTIMEDIA SYSTEMS

IF3.1

2025-02-040

OA

Predicting Protein-Ligand Binding Affinity Using Fusion Model of Spatial-Temporal Graph Neural Network and 3D Structure-Based Complex Graph

INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES

IF3.9

2024-11-140

PRE

An efficient retrieval approach for encrypted speech based on biological hashing and spectral subtraction

MULTIMEDIA TOOLS AND APPLICATIONS

IF3

2020-08-126

PREAI

Synthesis of 3-acyloxyxanthone derivatives as α-glucosidase inhibitors: A further insight into the 3-substituents' effect

BIOORGANIC & MEDICINAL CHEMISTRY

IF3

2016-04-0121

PREAI

Cerebral vasospasm and corticospinal tract injury induced by a modified rat model of subarachnoid hemorrhage

JOURNAL OF THE NEUROLOGICAL SCIENCES

IF3.2

2015-11-0114

PREAI

Cyclometallated Gold(III) Complexes as Effective Catalysts for Synthesis of Propargylic Amines, Chiral Allenes and Isoxazoles

ADVANCED SYNTHESIS & CATALYSIS

IF4

2013-07-1290

PREAI

Entecavir plus adefovir rescue therapy for chronic hepatitis B patients after multiple treatment failures in real-life practice

VIROLOGY JOURNAL

IF3.8

2013-05-2515

OAAI

Gold-catalyzed amide synthesis from aldehydes and amines in aqueous medium

CHEMICAL COMMUNICATIONS

IF4.2

2012-01-0183

PRE

Toward potent α-glucosidase inhibitors based on xanthones: A closer look into the structure-activity correlations

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2011-09-0147

PREAI