logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
arrow
返回期刊详情
W

WIREs Computational Molecular Science

IF
论文数30
被引数1
期刊论文 30
发表时间
delete
IMPACT Framework: Establishing Global Standards for Artificial Intelligence Implementation, Methodology, and Translation in Drug DiscoveryIMPACT框架：建立人工智能在药物发现中实施、方法和转化应用的国际标准
deleteWIREs Computational Molecular Science
IF0
delete2026-03-31
delete0
deleteOAAI
deleteAmit Gangwal; Antonio Lavecchia
delete分享
delete收藏
Formulation and Advancement of Hierarchically Correlated Orbital Functional Theory层次相关轨道泛函理论的构建与进展
deleteWIREs Computational Molecular Science
IF0
delete2026-03-23
delete0
PREAI
deleteTing Zhang; Yi-Fan Yao; Wenna Ai; Neil Qiang Su
delete分享
delete收藏
eMap 2.0: A Web-Based Platform for Identifying electron Transfer Pathways in Proteins and Protein FamilieseMap 2.0: 一个用于识别蛋白质及蛋白质家族中电子转移通路 的网络平台
deleteWIREs Computational Molecular Science
IF0
delete2026-03-12
delete0
deleteOAAI
deleteJames R. Gayvert; Alyssa J. Kranc; Ruslan N. Tazhigulov; Ksenia B. Bravaya
delete分享
delete收藏
Instantaneous Marcus Theory for Photoinduced Charge Transfer in Condensed Phase凝聚相光致电荷转移的瞬时Marcus理论
deleteWIREs Computational Molecular Science
IF0
delete2026-03-10
delete0
PREAI
deleteXiang Sun
delete分享
delete收藏
Machine Learning Toolkits and Frameworks for Materials Design用于材料设计的机器学习工具包和框架
deleteWIREs Computational Molecular Science
IF0
delete2026-03-03
delete0
PREAI
deleteB. Moses Abraham; Yury Gogotsi
delete分享
delete收藏
Toward Integrative Predictive Toxicology: Advanced Methods for Drug Toxicity and Safety Prediction面向整合预测毒理学：药物毒性和安全性预测的先进方法
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
delete分享
delete收藏
Breaking the Barriers of Molecular Dynamics With Deep-Learning: Opportunities, Pitfalls, and How to Navigate Them用深度学习打破分子动力学的障碍: 机会、陷阱以及如何驾驭它们
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
delete分享
delete收藏
Weighted Ensemble Simulation: Advances in Methods, Software, and Applications加权集合模拟：方法、软件与应用的进展
deleteWIREs Computational Molecular Science
IF0
delete2025-11-14
delete0
PREAI
deleteLillian T. Chong; Daniel M. Zuckerman
delete分享
delete收藏
Path Integral-Free Energy Perturbation (PI-FEP) Simulations: Kinetic Isotope Effects of Proton/Deuteron Transfer Reactions in Aqueous Solution路径积分自由能微扰（PI-FEP）模拟：水溶液中质子/氘转移反应的动力学同位素效应
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
delete分享
delete收藏
Advancements in Large Language Models (LLMs): Empowering Drug Discovery大型语言模型(LLMs)的进展：赋能药物发现
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
delete分享
delete收藏
Drug–Drug Interaction Prediction: Paradigm Shifts, Key Bottlenecks, and Future Directions药物-药物相互作用预测：范式转变、关键瓶颈和未来方向
deleteWIREs Computational Molecular Science
IF0
delete2025-11-09
delete0
PREAI
deleteXiaoqing Ru; Zhen Li; Leyi Wei; Yuanan Liu; Quan Zou
delete分享
delete收藏
Aptamers Meet Structural Bioinformatics, Computational Chemistry, and Artificial Intelligence核酸适配体与结构生物信息学、计算化学和人工智能的交汇
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
delete分享
delete收藏
Cover Image, Volume 15, Issue 5封面图片，第15卷，第5期
deleteWIREs Computational Molecular Science
IF0
delete2025-10-06
delete0
deleteOAAI
deleteFrancesca Peccati; Cristina M. Segovia; Reyes Núñez-Franco; Gonzalo Jiménez-Osés
delete分享
delete收藏
Computational Systems Biology Methods for Cross-Disease Comparison of Omics Data计算系统生物学方法用于跨疾病比较组学数据
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
delete分享
delete收藏
Integrating Materials Representations Into Feature Engineering in Machine Learning for Crystalline Materials: From Local to Global Chemistry-Structure Information Coupling将材料表示融入晶体材料的机器学习特征工程：从局部到全局的化学-结构信息耦合
deleteWIREs Computational Molecular Science
IF0
delete2025-08-11
delete0
PREAI
deleteBin Xiao; Yuchao Tang; Yi Liu
delete分享
delete收藏
Ab Initio Approaches to Simulate Molecular Polaritons and Quantum Dynamics从头算方法模拟分子极化激元和量子动力学
deleteWIREs Computational Molecular Science
IF0
delete2025-08-06
delete0
PREAI
deleteBraden M. Weight; Pengfei Huo
delete分享
delete收藏
Computational Bioprospecting of Enzymes酶的计算生物勘探
deleteWIREs Computational Molecular Science
IF0
delete2025-07-28
delete0
PREAI
deleteRuite Xiang; Mireia Martínez-Sugranes; Rubén Muñoz-Tafalla; Martin Floor; Victor Guallar
delete分享
delete收藏
Molecular Simulations of Fluid Interfaces流体界面的分子模拟
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
deleteOAAI
deleteChung Chi Chio; Yutong Yang; Yufan Xia; Ying-Lung Steve Tse
delete分享
delete收藏
Have You Tried Turning It Off and On Again? Stochastic Resetting for Enhanced Sampling《你尝试过把它关掉再重新打开吗？——随机重置以增强采样》
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
deleteOAAI
deleteOfir Blumer; Barak Hirshberg
delete分享
delete收藏
Advancements in DNA Tagging and Storage: Techniques, Applications, and Future ImplicationsDNA标记与存储技术的进展：技术、应用及未来影响
deleteWIREs Computational Molecular Science
IF0
delete2025-07-16
delete0
PREAI
deleteAdam Kuzdraliński; Marek Miśkiewicz; Hubert Szczerba; Wojciech Mazurczyk; Tomasz Ociepa; Michał Lechowski; Bogdan Księżopolski
delete分享
delete收藏