From predicting to decision making: Reinforcement learning in biomedicine
X Liu, J Zhang, Z Hou, YI Yang… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Reinforcement learning (RL) is one important branch of artificial intelligence (AI), which
intuitively imitates the learning style of human beings. It is commonly derived from solving …
intuitively imitates the learning style of human beings. It is commonly derived from solving …
Experimental NOE, chemical shift, and proline isomerization data provide detailed insights into amelotin oligomerization
Amelotin is an intrinsically disordered protein (IDP) rich in Pro residues and is involved in
hydroxyapatite mineralization. It rapidly oligomerizes under physiological conditions of pH …
hydroxyapatite mineralization. It rapidly oligomerizes under physiological conditions of pH …
Protein multimer structure prediction via prompt learning
Understanding the 3D structures of protein multimers is crucial, as they play a vital role in
regulating various cellular processes. It has been empirically confirmed that the multimer …
regulating various cellular processes. It has been empirically confirmed that the multimer …
[HTML][HTML] Deep confident steps to new pockets: Strategies for docking generalization
Accurate blind docking has the potential to lead to new biological breakthroughs, but for this
promise to be realized, docking methods must generalize well across the proteome. Existing …
promise to be realized, docking methods must generalize well across the proteome. Existing …
Simulation toolkits at the molecular scale for trans-scale thermal signaling
I Kurisaki, M Suzuki - Computational and Structural Biotechnology Journal, 2023 - Elsevier
Thermogenesis is a physiological activity of releasing heat that originates from intracellular
biochemical reactions. Recent experimental studies discovered that externally applied heat …
biochemical reactions. Recent experimental studies discovered that externally applied heat …
Deep Reinforcement Learning for Modelling Protein Complexes
AlphaFold can be used for both single-chain and multi-chain protein structure prediction,
while the latter becomes extremely challenging as the number of chains increases. In this …
while the latter becomes extremely challenging as the number of chains increases. In this …
Domain-based protein docking with extremely large conformational changes
C Christoffer, D Kihara - Journal of molecular biology, 2022 - Elsevier
Proteins are key components in many processes in living cells, and physical interactions
with other proteins and nucleic acids often form key parts of their functions. In many cases …
with other proteins and nucleic acids often form key parts of their functions. In many cases …
Modeling protein–nucleic acid complexes with extremely large conformational changes using Flex‐LZerD
C Christoffer, D Kihara - Proteomics, 2023 - Wiley Online Library
Proteins and nucleic acids are key components in many processes in living cells, and
interactions between proteins and nucleic acids are often crucial pathway components. In …
interactions between proteins and nucleic acids are often crucial pathway components. In …
Syndock: N rigid protein docking via learnable group synchronization
The regulation of various cellular processes heavily relies on the protein complexes within a
living cell, necessitating a comprehensive understanding of their three-dimensional …
living cell, necessitating a comprehensive understanding of their three-dimensional …
Fast, accurate ranking of engineered proteins by target-binding propensity using structure modeling
Deep-learning-based methods for protein structure prediction have achieved
unprecedented accuracy, yet their utility in the engineering of protein-based binders remains …
unprecedented accuracy, yet their utility in the engineering of protein-based binders remains …