logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
BackJournal Details
W

WIREs Computational Molecular Science

IF
Papers42
Citations1
Journal Papers 30
Publication Date
delete
IMPACT Framework: Establishing Global Standards for Artificial Intelligence Implementation, Methodology, and Translation in Drug Discovery
deleteWIREs Computational Molecular Science
IF0
delete2026-03-31
delete0
deleteOAAI
deleteAmit Gangwal; Antonio Lavecchia
deleteShare
deleteSave
Formulation and Advancement of Hierarchically Correlated Orbital Functional Theory
deleteWIREs Computational Molecular Science
IF0
delete2026-03-23
delete0
PREAI
deleteTing Zhang; Yi-Fan Yao; Wenna Ai; Neil Qiang Su
deleteShare
deleteSave
eMap 2.0: A Web-Based Platform for Identifying electron Transfer Pathways in Proteins and Protein Families
deleteWIREs Computational Molecular Science
IF0
delete2026-03-12
delete0
deleteOAAI
deleteJames R. Gayvert; Alyssa J. Kranc; Ruslan N. Tazhigulov; Ksenia B. Bravaya
deleteShare
deleteSave
Instantaneous Marcus Theory for Photoinduced Charge Transfer in Condensed Phase
deleteWIREs Computational Molecular Science
IF0
delete2026-03-10
delete0
PREAI
deleteXiang Sun
deleteShare
deleteSave
Machine Learning Toolkits and Frameworks for Materials Design
deleteWIREs Computational Molecular Science
IF0
delete2026-03-03
delete0
PREAI
deleteB. Moses Abraham; Yury Gogotsi
deleteShare
deleteSave
Toward Integrative Predictive Toxicology: Advanced Methods for Drug Toxicity and Safety Prediction
deleteWIREs Computational Molecular Science
IF0
delete2026-02-19
delete0
deleteOAAI
deleteEleonora Gianquinto; Matteo Bersani; Lucrezia Armando; Lara Davani; Clara Cena; Angela De Simone; Francesca Spyrakis
deleteShare
deleteSave
Breaking the Barriers of Molecular Dynamics With Deep-Learning: Opportunities, Pitfalls, and How to Navigate Them
deleteWIREs Computational Molecular Science
IF0
delete2026-01-23
delete0
deleteOAAI
deleteKlara Bonneau; Aldo S. Pasos-Trejo; Michael Plainer; Luca Sagresti; Jacopo Venturin; Iryna Zaporozhets; Alessandro Caruso; Edoardo Rolando; Andrea Guljas; Leon Klein; Maximilian Schebek; Filippo Albani; Raquel López-Ríos de Castro; Zakariya El Machachi; Lorenzo Giambagli; Cecilia Clementi
deleteShare
deleteSave
Weighted Ensemble Simulation: Advances in Methods, Software, and Applications
deleteWIREs Computational Molecular Science
IF0
delete2025-11-14
delete0
PREAI
deleteLillian T. Chong; Daniel M. Zuckerman
deleteShare
deleteSave
Path Integral-Free Energy Perturbation (PI-FEP) Simulations: Kinetic Isotope Effects of Proton/Deuteron Transfer Reactions in Aqueous Solution
deleteWIREs Computational Molecular Science
IF0
delete2025-11-09
delete0
deleteOAAI
deleteJiali Gao; Gavin Shuai Huang; Amber Simon; Elinor Caballero; Kai Chen; Mikayla Z. Fahrenbruch; Dallin Fairbourn; Ian Harreschou; Skyler Kauffman; Calvin Thoma; Marissa D. Zamora
deleteShare
deleteSave
Advancements in Large Language Models (LLMs): Empowering Drug Discovery
deleteWIREs Computational Molecular Science
IF0
delete2025-11-09
delete0
PREAI
deleteBosheng Song; Xiaowen Li; Xiuxiu Chao; Li Wang; Yiping Liu; Zhen Xia; Dongsheng Cao; Xiangzheng Fu
deleteShare
deleteSave
Drug–Drug Interaction Prediction: Paradigm Shifts, Key Bottlenecks, and Future Directions
deleteWIREs Computational Molecular Science
IF0
delete2025-11-09
delete0
PREAI
deleteXiaoqing Ru; Zhen Li; Leyi Wei; Yuanan Liu; Quan Zou
deleteShare
deleteSave
Aptamers Meet Structural Bioinformatics, Computational Chemistry, and Artificial Intelligence
deleteWIREs Computational Molecular Science
IF0
delete2025-10-16
delete0
PREAI
deleteGabriela da Rosa; Mauro de Castro; Víctor Miguel García Velásquez; Santiago Pintos; Jimena Benedetto; Leandro Grille; Sofia Valla; Luis Marat Alvarez Salas; Victoria Calzada; Pablo D. Dans
deleteShare
deleteSave
Cover Image, Volume 15, Issue 5
deleteWIREs Computational Molecular Science
IF0
delete2025-10-06
delete0
deleteOAAI
deleteFrancesca Peccati; Cristina M. Segovia; Reyes Núñez-Franco; Gonzalo Jiménez-Osés
deleteShare
deleteSave
Computational Systems Biology Methods for Cross-Disease Comparison of Omics Data
deleteWIREs Computational Molecular Science
IF0
delete2025-08-27
delete0
deleteOAAI
deleteGleb Svinin; Rebecca Ting Jiin Loo; Mohamed Soudy; Francesco Nasta; Sophie Le Bars; Enrico Glaab
deleteShare
deleteSave
Integrating Materials Representations Into Feature Engineering in Machine Learning for Crystalline Materials: From Local to Global Chemistry-Structure Information Coupling
deleteWIREs Computational Molecular Science
IF0
delete2025-08-11
delete0
PREAI
deleteBin Xiao; Yuchao Tang; Yi Liu
deleteShare
deleteSave
Ab Initio Approaches to Simulate Molecular Polaritons and Quantum Dynamics
deleteWIREs Computational Molecular Science
IF0
delete2025-08-06
delete0
PREAI
deleteBraden M. Weight; Pengfei Huo
deleteShare
deleteSave
Computational Bioprospecting of Enzymes
deleteWIREs Computational Molecular Science
IF0
delete2025-07-28
delete0
PREAI
deleteRuite Xiang; Mireia Martínez-Sugranes; Rubén Muñoz-Tafalla; Martin Floor; Victor Guallar
deleteShare
deleteSave
Molecular Simulations of Fluid Interfaces
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
deleteOAAI
deleteChung Chi Chio; Yutong Yang; Yufan Xia; Ying-Lung Steve Tse
deleteShare
deleteSave
Have You Tried Turning It Off and On Again? Stochastic Resetting for Enhanced Sampling
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
deleteOAAI
deleteOfir Blumer; Barak Hirshberg
deleteShare
deleteSave
Advancements in DNA Tagging and Storage: Techniques, Applications, and Future Implications
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
PREAI
deleteAdam Kuzdraliński; Marek Miśkiewicz; Hubert Szczerba; Wojciech Mazurczyk; Tomasz Ociepa; Michał Lechowski; Bogdan Księżopolski
deleteShare
deleteSave