Image de couverture de livre

Rational Proteolysis Targeting Chimera Design Driven by Molecular Modeling and Machine Learning

Fuente: Wiley Open Access

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Shuoyan Tan, Zhenglu Chen, Ruiqiang Lu, Huanxiang Liu, Xiaojun Yao
Format:	Artículo Open Access
Publié:	Wiley 2025
Sujets:	WIREs Computational Molecular Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design
par: Lingling Wang, et autres
Publié: (2024)

Machine Learning Toolkits and Frameworks for Materials Design
par: B. Moses Abraham, et autres
Publié: (2026)

From Perception to Prediction and Interpretation: Enlightening the Gray Zone of Molecular Bricks of Life With the Help of Machine Learning and Quantum Chemistry
par: Vincenzo Barone
Publié: (2025)

Integrating Materials Representations Into Feature Engineering in Machine Learning for Crystalline Materials: From Local to Global Chemistry‐Structure Information Coupling
par: Bin Xiao, et autres
Publié: (2025)

Breaking the Barriers of Molecular Dynamics With Deep‐Learning: Opportunities, Pitfalls, and How to Navigate Them
par: Klara Bonneau, et autres
Publié: (2026)

Machine Learning Transition State Geometries and Applications in Reaction Property Prediction
par: Isaac W. Beaglehole, et autres
Publié: (2025)

Enhancing Molecular Dynamics Simulations of Electrical Double Layers: From Simplified to Realistic Models
par: Liang Zeng, et autres
Publié: (2025)

Large Language Models for Heterogeneous Catalysis
par: Yiwen Yao, et autres
Publié: (2025)

Molecular Simulations of Fluid Interfaces
par: Chung Chi Chio, et autres
Publié: (2025)

Molecular dynamics simulations of nucleosomes are coming of age
par: Anastasiia S. Fedulova, et autres
Publié: (2024)

Ab Initio Approaches to Simulate Molecular Polaritons and Quantum Dynamics
par: Braden M. Weight, et autres
Publié: (2025)

Insight Into the Dynamic Active Sites and Catalytic Mechanism for CO2 Hydrogenation Reaction
par: You Han, et autres
Publié: (2025)

Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective
par: Jing Kang, et autres
Publié: (2025)

Embedded Many‐Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems
par: Gianluca Tirimbó, et autres
Publié: (2024)

Deep Learning Quantum Monte Carlo for Solids
par: Yubing Qian, et autres
Publié: (2025)

Multistate Density Functional Theory: Theory, Methods, and Applications
par: Yangyi Lu, et autres
Publié: (2025)

Design of molecularly imprinted polymers (MIP) using computational methods: A review of strategies and approaches
par: Enayat Mohsenzadeh, et autres
Publié: (2024)

Formulation and Advancement of Hierarchically Correlated Orbital Functional Theory
par: Ting Zhang, et autres
Publié: (2026)

HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update
par: Daochi Zhang, et autres
Publié: (2024)

From Traditional Methods to Deep Learning Approaches: Advances in Protein–Protein Docking
par: Linlong Jiang, et autres
Publié: (2025)

Coarse‐Grained Modeling of Electrostatic Interactions in Chromatin
par: Nikolay Korolev, et autres
Publié: (2025)

A Journey With THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids
par: Ariadni Boziki, et autres
Publié: (2025)

Automating Data Extraction From Scientific Literature and General PDF Files Using Large Language Models and KNIME : An Application in Toxicology
par: José Teófilo Moreira‐Filho, et autres
Publié: (2025)

Drug–Drug Interaction Prediction: Paradigm Shifts, Key Bottlenecks, and Future Directions
par: Xiaoqing Ru, et autres
Publié: (2025)

Condensed‐Phase Quantum Chemistry
par: Paul J. Robinson, et autres
Publié: (2025)

Nonequilibrium Dynamics at Cellular Interfaces: Insights From Simulation and Theory
par: Zheng Jiao, et autres
Publié: (2024)

Ab Initio Vibrational Spectroscopy of Water and Aqueous Solutions in a Wide Pressure–Temperature Range
par: Tao Li, et autres
Publié: (2025)

Weighted Ensemble Simulation: Advances in Methods, Software, and Applications
par: Lillian T. Chong, et autres
Publié: (2025)

Multireference Coupled‐Cluster Theory: The Internally Contracted Route
par: Robert G. Adam, et autres
Publié: (2025)

Theoretical Investigation of Singlet Fission Processes in Organic Photovoltaics
par: Zhangxia Wang, et autres
Publié: (2025)

Strategies for Redesigning Withdrawn Drugs to Enhance Therapeutic Efficacy and Safety: A Review
par: Chirag N. Patel, et autres
Publié: (2025)

Cover Image, Volume 15, Issue 2
par: Sousa Javan Nikkhah, et autres
Publié: (2025)

Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
par: Xiaojie Wu, et autres
Publié: (2025)

Correction to “ ByteQC : GPU ‐Accelerated Quantum Chemistry Package for Large‐Scale Systems”
Publié: (2025)

Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories
par: Maxim F. Gelin, et autres
Publié: (2025)

Issue Information
Publié: (2025)

Building Nucleosome Positioning Maps: Discovering Hidden Gems
par: Yosef Masoudi‐Sobhanzadeh, et autres
Publié: (2025)

Aptamers Meet Structural Bioinformatics, Computational Chemistry, and Artificial Intelligence
par: Gabriela da Rosa, et autres
Publié: (2025)

Multiscale Simulations and Property Predictions for Organic Luminescent Aggregates
par: Xiaoyan Zheng, et autres
Publié: (2025)

Cover Image, Volume 15, Issue 3
par: Yosef Masoudi‐Sobhanzadeh, et autres
Publié: (2025)