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Teresa Head‐Gordon

University of California

67H指数
394论文数
2.3W被引数
收录论文 155
发表时间
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Reply to the Correspondence on “Can Charge Transfer Across C–H···O Hydrogen Bonds Stabilize Oil Droplets in Water?”回复关于“C–H···O氢键上的电荷转移能否稳定水中的油滴？”的通信
errAngewandte Chemie-International Edition
IF16.9
err2026-08-28
err0
PREAI
errRuoqi Zhao; Hengyuan Shen; R. Allen LaCour; Joseph P. Heindel; Martin Head-Gordon; Teresa Head-Gordon
err分享
err收藏
SmileyLlama: modifying large language models for directed chemical space explorationSmileyLlama: 修改用于定向化学空间探索的大型语言模型
errNature Computational Science
IF18.3
err2026-05-11
err0
errOAAI
errJoseph M. Cavanagh; Kunyang Sun; Andrew Gritsevskiy; Dorian Bagni; Yingze Wang; Thomas D. Bannister; Teresa Head-Gordon
err分享
err收藏
The Interplay of Pauli Repulsion; Electrostatics; and Field Inhomogeneity for Blueshifting and Redshifting Vibrational Probe Molecules泡利排斥、静电作用和场不均匀性对振动探针分子蓝移和红移的相互作用
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-07
err0
PREAI
errR. Allen LaCour; Ruoqi Zhao; Teresa Head-Gordon
err分享
err收藏
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-23
err1
PREAI
errMacDermott-Opeskin, Hugo; Scheen, Jenke; Wognum, Cas; Horton, Joshua T.; West, Devany; Payne, Alexander Matthew; Castellanos, Maria A.; Colby, Sean; Griffen, Edward; Cousins, David; Stacey, Jessica; Reid, Lauren; Aschenbrenner, Jasmin Cara; Fearon, Daren; Balcomb, Blake; Marples, Peter; Tomlinson, Charles W. E.; Lithgo, Ryan; Godoy, Andre S.; Winokan, Max; Barr, Haim; Lahav, Noa; Lavi, Michael; Duberstein, Shirley; Cohen, Galit; Fate, Gwendolyn; Lefker, Bruce; Robinson, Ralph; Szommer, Tamas; Lynch, Nick; Minh, David D. L.; Van Ngoc Thuy La; Kang, Lulu; Huddleston, Kate; Renslow, Ryan; Tollefson, Mallory; Walters, W. Patrick; Xu, Cynthia; Hsu, Jonny; St-Laurent, Julien; Etsmoberg, Honore; Zhu, Lu; Quirke, Andrew; Haleem, Mohamed Iliyas Abdul; Alibay, Irfan; Baid, Gunjan; Birnbaum, Benjamin; Bishop, Kevin P.; Bohorquez, Hugo; Bose, Ashmita; Brown, C. J.; Burns, Jackson; Cai, Lianjin; Cedeno, Ruel; de Cesco, Stephane; Chupakhin, Vladimir; Clark, Finlay; Cole, Daniel J.; Corbi-Verge, Carles; Danial, Muhammad; Davi, Alec; Dehaen, Wim; Doering, Niklas Piet; Dougha, Alexis; Dreanic, Marie-Pierre; Eakin, Bryce; Ehrlich, Anatol; Elijosius, Rokas; Fulop, Jozef; Gitter, Anthony; Goossens, Kenneth; Gu, Yaowen; Head-Gordon, Teresa; Hoffer, Laurent; Hofmans, Johan; Jiang, Ellena; Kaminow, Benjamin; Khosravi, Sina; Khoualdi, Asma Feriel; Lenselink, Eelke Bart; Liu, Zhirong; Liu, Yue; Liu, Sijie; Ma, Yizhou; Maher, Patrick; Mayer, Imke; Mendez-Lucio, Oscar; Mey, Antonia S. J. S.; Michel, Julien; Montanari, Floriane; Niu, Taoyu; Ogino, Ryusei; Palaniappan, Ashok; Pan, Xiaolin; Patnaik, Auro; Pham, Long-Hung; Pinto, Luis; Purnomo, Justin; Rich, Alex; Schaaf, Lars; Schran, Christoph; Singh, Rajeev Kumar; Srilakshmi, Mounika; Srivastava, Satya Pratik; Sun, Kunyang; Sun, Zhaoxi; Talagayev, Valerij; Balakrishnan, Balamurugan Thirukonda Subramanian; Titus, Ida; Tkatchenko, Alexandre; Treyde, Wojtek; Tricarico, Giovanni; Tripp, Austin; Vithayapalert, Nopsinth; Wang, Yingze; Wasi, Azmine Toushik; Wedig, Steffen; Wolber, Gerhard; Xu, Bofei; Zhou, Weijun; von Delft, Frank; Lee, Alpha; Kirkegaard, Karla; Sjo, Peter; Fraser, James S.; Chodera, John D.
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Foundation models for atomistic simulation of chemistry and materials化学和材料的原子模拟的基础模型
errNature Reviews Chemistry
IF51.7
err2026-02-11
err0
PREAI
errEric C.-Y. Yuan; Yunsheng Liu; Junmin Chen; Peichen Zhong; Sanjeev Raja; Tobias Kreiman; Santiago Vargas; Wenbin Xu; Martin Head-Gordon; Chao Yang; Samuel M. Blau; Bingqing Cheng; Aditi Krishnapriyan; Teresa Head-Gordon
err分享
err收藏
More Accurate Binding Affinity Prediction Using Protein Homology and Ligand-Based Transfer Learning使用蛋白质同源性和基于配体的迁移学习进行更准确的结合亲和力预测
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-06
err0
PREAI
errJustin Purnomo; Caitlin Kim; Kunyang Sun; Yingze Wang; Teresa Head-Gordon
err分享
err收藏
Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2026-01-01
err0
PREAI
errLi, Jie; Guan, Xingyi; Zhang, Oufan; Sun, Kunyang; Wang, Yingze; Bagni, Dorian; Head-Gordon, Teresa
err分享
err收藏
Improved Treatment of 1-4 Interactions in Force Fields for Molecular Dynamics Simulations力场中1-4相互作用的改进处理方法在分子动力学模拟中的应用
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errAbdullah, Aalim S.; Wang, Yingze; Menger, Maximilian F. S. J.; Sami, Selim; Head-Gordon, Teresa
err分享
err收藏
Polaris Challenge: Data-Driven Priors to Improve Docking for Pose Prediction北极星挑战赛：基于数据驱动的先验知识以改进姿态预测中的对接
errJournal of Chemical Information and Modeling
IF5.3
err2025-10-28
err0
PREAI
errKunyang Sun; Yingze Wang; Justin Purnomo; Teresa Head-Gordon
err分享
err收藏
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language ModelsSynLlama: 使用大型语言模型生成可合成的分子及其类似物
errACS Central Science
IF10.4
err2025-09-17
err0
errOAAI
errKunyang Sun; Dorian Bagni; Joseph M. Cavanagh; Yingze Wang; Jacob M. Sawyer; Bo Zhou; Andrew Gritsevskiy; Oufan Zhang; Teresa Head-Gordon
err分享
err收藏
Can Charge Transfer Across C─H⋅⋅⋅O Hydrogen Bonds Stabilize Oil Droplets in Water?能否通过C─H⋅⋅⋅O氢键上的电荷转移来稳定水中的油滴？
errAngewandte Chemie International Edition
IF16.9
err2025-09-13
err0
errOAAI
errRuoqi Zhao; Hengyuan Shen; R. Allen LaCour; Joseph P. Heindel; Martin Head-Gordon; Teresa Head-Gordon
err分享
err收藏
Introduction: Electric Fields in Chemistry and Biology引言：化学与生物学中的电场
errChemical Reviews
IF55.8
err2025-08-13
err0
PREAI
errSteven G. Boxer; Teresa Head-Gordon
err分享
err收藏
Author Correction: The role of charge in microdroplet redox chemistry作者更正：电荷在微液滴氧化还原化学中的作用
errNature Communications
IF15.7
err2025-08-06
err0
errOAAI
errJoseph P. Heindel; R. Allen LaCour; Teresa Head-Gordon
err分享
err收藏
Biological insights from integrative modeling of intrinsically disordered protein systems内在无序蛋白质系统的整合建模生物学见解
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2025-05-30
err0
errOAAI
errZi Hao Liu; Maria Tsanai; Oufan Zhang; Teresa Head-Gordon; Julie D. Forman-Kay
err分享
err收藏
The Onset for Vibrationally Induced, Intramolecular Proton Transfer at Three Water Molecules in Microhydrated 4-Aminobenzoic Acid微水合4-氨基苯甲酸中三水分子处振动诱导的分子内质子转移的起始
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-05-19
err0
PREAI
errRana, Abhijit; Harville, Payten A.; Khuu, Thien; LaCour, R. Allen; Head-Gordon, Teresa; Johnson, Mark A.
err分享
err收藏
Determining the Role of Electrostatics in the Making and Breaking of the Caprin1-ATP Nanocondensate确定静电在Caprin1-ATP纳米缩合物的形成和破裂中的作用
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-02
err1
PREAI
errTsanai, Maria; Head-Gordon, Teresa
err分享
err收藏
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions多体水-离子和离子-离子相互作用的完全多极模型
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-01-21
err0
errOAAI
errHeindel, Joseph P.; Kim, Lukas; Head-Gordon, Martin; Head-Gordon, Teresa
err分享
err收藏
Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Moller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-21
err1
PREAI
errWang, Zhenling; Ikeda, Kevin; Shen, Hengyuan; Loipersberger, Matthias; Zech, Alexander; Aldossary, Abdulrahman; Head-Gordon, Teresa; Head-Gordon, Martin
err分享
err收藏
Tuning the free energy of host-guest encapsulation by cosolvent通过共溶剂调节宿主-客体包合的自由能
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errNolten, Melinda; Xia, Kay T.; Pezzotti, Simone; Schwaab, Gerhard; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean; Head-Gordon, Teresa; Li, Wan-Lu
err分享
err收藏
A workflow to create a high-quality protein-ligand binding dataset for training, validation, and prediction tasks创建用于训练、验证和预测任务的高质量蛋白质-配体结合数据集的工作流程
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errWang, Yingze; Sun, Kunyang; Li, Jie; Guan, Xingyi; Zhang, Oufan; Bagni, Dorian; Zhang, Yang; Carlson, Heather A.; Head-Gordon, Teresa
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
O
Omar M. Yaghi
H 指数: 198 · 论文数: 939
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
W
William A. Goddard
H 指数: 184 · 论文数: 2.4K
A
A. Paul Alivisatos
H 指数: 174 · 论文数: 724
J
John A. Pople
H 指数: 142 · 论文数: 735
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