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E

Esteban Vöhringer‐Martinez

Universidad de Concepción

21H指数
151论文数
1.7K被引数
收录论文 33
发表时间
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Electric fields enhance Diels–Alderase catalysis in abyssomicin C biosynthesis电场增强了阿比索霉素C生物合成中的diels-alderase催化
errchem. commun.
IF0
err2026-01-07
err0
errOAAI
errRodrigo Recabarren; Sam T. Johns; H. Adrian Bunzel; Esteban Vöhringer-Martinez; Marc W. van der Kamp
err分享
err收藏
Fast rational enzyme design by computational non-equilibrium alchemical transformations通过计算非平衡拟化学转化进行快速理性酶设计
errChem. Commun.
IF4.2
err2025-09-27
err0
errOAAI
errCarlos Castillo-Orellana; Esteban Vöhringer-Martinez
err分享
err收藏
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes适应性DFTB3排斥势在酶中的氢转移反应中达到DFT精度
errJournal of Computational Chemistry
IF4.8
err2025-07-14
err0
PREAI
errJosé Luís Velázquez-Libera; Rodrigo Recabarren; David Adrian Saez; Carlos Castillo; J. Javier Ruiz-Pernía; Iñaki Tuñón; Esteban Vöhringer-Martinez
err分享
err收藏
Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory多目标进化策略在QM/MM理论水平下研究酶催化反应中改进半经验哈密顿量
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-07
err0
PREAI
errVelazquez-Libera, Jose Luis; Recabarren, Rodrigo; Vohringer-Martinez, Esteban; Salgueiro, Yamisleydi; Ruiz-Pernia, J. Javier; Caballero, Julio
err分享
err收藏
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-08
err4
PREAI
errHeidar-Zadeh, Farnaz; Castillo-Orellana, Carlos; van Zyl, Maximilian; Pujal, Leila; Verstraelen, Toon; Bultinck, Patrick; Vohringer-Martinez, Esteban; Ayers, Paul W.
err分享
err收藏
GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-30
err6
PREAI
errKim, Taewon David; Pujal, Leila; Richer, Michelle; van Zyl, Maximilian; Martinez-Gonzalez, Marco; Tehrani, Alireza; Chuiko, Valerii; Sanchez-Diaz, Gabriela; Sanchez, Wesley; Adams, William; Huang, Xiaomin; Kelly, Braden D.; Vohringer-Martinez, Esteban; Verstraelen, Toon; Heidar-Zadeh, Farnaz; Ayers, Paul W.
err分享
err收藏
Grid : A Python library for molecular integration, interpolation, differentiation, and moreGrid: 用于分子整合、插值、微分等的Python库
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-03
err8
errOAAI
errTehrani, Alireza; Yang, Xiaotian Derrick; Martinez-Gonzalez, Marco; Pujal, Leila; Hernandez-Esparza, Raymundo; Chan, Matthew; Vohringer-Martinez, Esteban; Verstraelen, Toon; Ayers, Paul W.; Heidar-Zadeh, Farnaz
err分享
err收藏
The tale of HORTON: Lessons learned in a decade of scientific software development
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-23
err12
errOAAI
errChan, Matthew; Verstraelen, Toon; Tehrani, Alireza; Richer, Michelle; Yang, Xiaotian Derrick; Kim, Taewon David; Voehringer-Martinez, Esteban; Heidar-Zadeh, Farnaz; Ayers, Paul W.
err分享
err收藏
Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Binding Affinity Predictions of the T4-Lysozyme Double Mutant
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-28
err1
PREAI
errMacaya, Luis; Gonzalez, Duvan; Vohringer-Martinez, Esteban
err分享
err收藏
Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errGomez, Aharon; Tinzl, Matthias; Stoffel, Gabriele; Westedt, Hendrik; Grubmueller, Helmut; Erb, Tobias J.; Vohringer-Martinez, Esteban; Stripp, Sven T.
err分享
err收藏
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO2 Fixation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-04
err0
PREAI
errGomez, Aharon; Erb, Tobias J.; Grubmueller, Helmut; Voehringer-Martinez, Esteban
err分享
err收藏
Covalent Adduct Formation as a Strategy for Efficient CO2 Fixation in Crotonyl-CoA Carboxylases/Reductases共价加合物形成是在巴豆酰辅酶a羧化酶/还原酶中有效固定CO2的策略
errACS CATALYSIS
IF13.1
err2023-04-21
err3
PREAI
errRecabarren, Rodrigo; Tinzl, Matthias; Saez, David Adrian; Gomez, Aharon; Erb, Tobias J.; Vohringer-Martinez, Esteban
err分享
err收藏
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-08-12
err5
errOAAI
errGonzalez, Duvan; Macaya, Luis; Castillo-Orellana, Carlos; Verstraelen, Toon; Vogt-Geisse, Stefan; Vohringer-Martinez, Esteban
err分享
err收藏
Carbon Dioxide Fixation in RuBisCO Is Protonation-State-Dependent and Irreversible
errACS CATALYSIS
IF13.1
err2022-07-19
err6
errOAAI
errDouglas-Gallardo, Oscar A.; Murillo-Lopez, Juliana A.; Oller, Javier; Mulholland, Adrian J.; Vohringer-Martinez, Esteban
err分享
err收藏
Constrained iterative Hirshfeld charges: A variational approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-19
err8
errOAAI
errPujal, Leila; Van Zyl, Maximilian; Voehringer-Martinez, Esteban; Verstraelen, Toon; Bultinck, Patrick; Ayers, Paul W.; Heidar-Zadeh, Farnaz
err分享
err收藏
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases
errACS CENTRAL SCIENCE
IF10.4
err2022-04-25
err10
errOAAI
errDeMirci, Hasan; Rao, Yashas; Stoffel, Gabriele M.; Vogeli, Bastian; Schell, Kristina; Gomez, Aharon; Batyuk, Alexander; Gati, Cornelius; Sierra, Raymond G.; Hunter, Mark S.; Dao, E. Han; Ciftci, Halil, I; Hayes, Brandon; Poitevin, Fredric; Li, Po-Nan; Kaur, Manat; Tono, Kensuke; Saez, David Adrian; Deutsch, Samuel; Yoshikuni, Yasuo; Grubmueller, Helmut; Erb, Tobias J.; Vohringer-Martinez, Esteban; Wakatsuki, Soichi
err分享
err收藏
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-08-31
err6
PREAI
errGonzalez, Duvan; Macaya, Luis; Vohringer-Martinez, Esteban
err分享
err收藏
Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency在最严重的葡萄糖-6-磷酸脱氢酶缺乏症中，致病性突变导致的长距离结构缺陷
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2021-01-18
err26
errOAAI
errHorikoshi, Naoki; Hwang, Sunhee; Gati, Cornelius; Matsui, Tsutomu; Castillo-Orellana, Carlos; Raub, Andrew G.; Garcia, Adriana A.; Jabbarpour, Fatemeh; Batyuk, Alexander; Broweleit, Joshua; Xiang, Xinyu; Chiang, Andrew; Broweleit, Rachel; Vohringer-Martinez, Esteban; Mochly-Rosen, Daria; Wakatsuki, Soichi
err分享
err收藏
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input filesIOData: 一个python库，用于读取、写入和转换计算化学文件格式并生成输入文件
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-12-27
err33
errOAAI
errVerstraelen, Toon; Adams, William; Pujal, Leila; Tehrani, Alireza; Kelly, Braden D.; Macaya, Luis; Meng, Fanwang; Richer, Michael; Hernandez-Esparza, Raymundo; Yang, Xiaotian Derrick; Chan, Matthew; Kim, Taewon David; Cools-Ceuppens, Maarten; Chuiko, Valerii; Vohringer-Martinez, Esteban; Ayers, Paul W.; Heidar-Zadeh, Farnaz
err分享
err收藏
Electronic structure benchmark calculations ofCO2fixing elementary chemical steps inRuBisCOusing the projector-based embedding approach
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-07-08
err8
errOAAI
errDouglas-Gallardo, Oscar A.; Shepherd, Ian; Bennie, Simon J.; Ranaghan, Kara E.; Mulholland, Adrian J.; Vohringer-Martinez, Esteban
err分享
err收藏

研究方向

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合作学者
合作期刊
D
Daria Mochly‐Rosen
H 指数: 99 · 论文数: 474
H
Helmut Grubmüller
H 指数: 84 · 论文数: 538
C
Carlos Fernández‐del Castillo
H 指数: 81 · 论文数: 733
P
Paul W. Ayers
H 指数: 76 · 论文数: 518
A
Adrian J. Mulholland
H 指数: 71 · 论文数: 475
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