Results 111 to 120 of about 160,727 (166)

Deep Drug–Target Binding Affinity Prediction Base on Multiple Feature Extraction and Fusion

ACS Omega
Zepeng Li, Yuni Zeng, Mingfeng Jiang, Bo Wei   +3 more
doaj   +1 more source

BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction. [PDF]

J Chem Inf Model
Sim J, Lee J.
europepmc   +1 more source

MSCMF-DTB: a multi-scale cross-modal fusion framework for drug-target binding prediction. [PDF]

Sci Rep
Huang J, Pan Y, Chen Q.
europepmc   +1 more source

Open-Source Molecular Docking and AI-Augmented Structure-Based Drug Design: Current Workflows, Challenges, and Opportunities. [PDF]

Int J Mol Sci
Azam F, Almahmoud SA.
europepmc   +1 more source

The adaptive immune receptors in a big data world. [PDF]

Immunohorizons
DeKosky BJ.
europepmc   +1 more source

Artificial intelligence-driven discovery of coumarin-based therapeutics: Revolutionizing target identification and validation. [PDF]

Pharm Sci Adv
Mustafa YF.
europepmc   +1 more source

MGF-DTA: A Multi-Granularity Fusion Model for Drug-Target Binding Affinity Prediction. [PDF]

Int J Mol Sci
Ni Z, Wei B, Zeng Y.
europepmc   +1 more source

DTAP: a unified graph transformer framework for joint prediction of drug-target affinity and docking pose. [PDF]

Brief Bioinform
Liu J, Ding Y, Yan Y, Zheng L, Pan Y.
europepmc   +1 more source

MFDR-DTI: Multisource Feature Decoupling and Dual-Level Reorganization Fusion for Accurate Drug-Target Interaction Prediction. [PDF]

ACS Omega
Xie D, Yu X, Zeng Y, Dai Q.
europepmc   +1 more source

Docking of millions: accelerating a million-scale virtual screening using deep learning. [PDF]

Brief Bioinform
Ha J, Lee J, Ko J, Shin WH.
europepmc   +1 more source