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Combining docking pose rank and structure with deep learning improves
  protein-ligand binding mode prediction

Combining docking pose rank and structure with deep learning improves protein-ligand binding mode prediction

7 October 2019
Joseph A. Morrone
Matteo Terreran
T. Huynh
Heng Luo
Wendy D. Cornell
ArXivPDFHTML

Papers citing "Combining docking pose rank and structure with deep learning improves protein-ligand binding mode prediction"

3 / 3 papers shown
Title
Multi-view biomedical foundation models for molecule-target and property prediction
Multi-view biomedical foundation models for molecule-target and property prediction
Parthasarathy Suryanarayanan
Yunguang Qiu
Shreyans Sethi
Diwakar Mahajan
Hongyang Li
...
Bum Chul Kwon
Pablo Meyer
Feixiong Cheng
Jianying Hu
Joseph A. Morrone
AI4CE
24
0
0
25 Oct 2024
Tx-LLM: A Large Language Model for Therapeutics
Tx-LLM: A Large Language Model for Therapeutics
Juan Manuel Zambrano Chaves
Eric Wang
Tao Tu
E. D. Vaishnav
Byron Lee
S. S. Mahdavi
Christopher Semturs
David Fleet
Vivek Natarajan
Shekoofeh Azizi
LM&MA
22
12
0
10 Jun 2024
Transferable Graph Neural Fingerprint Models for Quick Response to
  Future Bio-Threats
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats
Wei Chen
Yihui Ren
Ai Kagawa
Matthew R. Carbone
Sam Yen-Chi Chen
...
Austin R. Clyde
Arvind Ramanathan
R. Stevens
Hubertus Van Dam
D. Lu
OOD
12
2
0
17 Jul 2023
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