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B

Bert L. de Groot

Texas Tech University System

78H指数
372论文数
3.3W被引数
收录论文 161
发表时间
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Structural insights into AQP3 channel closure upon pH and redox changes reveal an autoregulatory molecular mechanismAQP3通道在pH和氧化还原变化下的闭合结构洞见揭示了自调节分子机制
errNature Communications
IF15.7
err2025-12-22
err0
errOAAI
errPeng Huang; Raminta Venskutonytė; Carter J. Wilson; Sara Bsharat; Rashmi B. Prasad; Pontus Gourdon; Isabella Artner; Bert L. de Groot; Karin Lindkvist-Petersson
err分享
err收藏
Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations固态NMR和MD模拟揭示的MthK钾通道中钙介导的内向整流原子机制
errJournal of the American Chemical Society
IF15.6
err2025-11-30
err0
errOAAI
errCarl Öster; Reinier de Vries; Juan Li; Denis Qoraj; Sascha Lange; Chaowei Shi; Wojciech Kopec; Bert L de Groot; Adam Lange
err分享
err收藏
Evaluation of the ABCG2 Charge Model in Protein–Ligand Binding Free-Energy CalculationsABCG2电荷模型在蛋白质-配体结合自由能计算中的评估
errJournal of Chemical Information and Modeling
IF5.3
err2025-10-30
err0
errOAAI
errSudarshan Behera; Vytautas Gapsys; Bert L. de Groot
err分享
err收藏
Anle138b binds predominantly to the central cavity in lipidic Aβ₄₀ fibrils and modulates fibril formationAnle138b主要结合到类脂性Aβ₄₀原纤维的中央空腔，并调节原纤维的形成
errNature Communications
IF15.7
err2025-10-03
err0
errOAAI
errMookyoung Han; Benedikt Frieg; Dirk Matthes; Andrei Leonov; Sergey Ryazanov; Karin Giller; Evgeny Nimerovsky; Marianna Stampolaki; Kai Xue; Kerstin Overkamp; Christian Dienemann; Dietmar Riedel; Armin Giese; Stefan Becker; Bert L. de Groot; Gunnar F. Schröder; Loren B. Andreas; Christian Griesinger
err分享
err收藏
Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy结构质量对预测结合自由能精度的影响量化
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-30
err0
errOAAI
errSudarshan Behera; David F. Hahn; Carter J. Wilson; Simone Marsili; Gary Tresadern; Vytautas Gapsys; Bert L. de Groot
err分享
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Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster将GROMACS分子动力学代码扩展到HPC集群上的65k CPU内核
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-13
err0
errOAAI
errKutzner, Carsten; Miletic, Vedran; Rodriguez, Karen Palacio; Rampp, Markus; Hummer, Gerhard; de Groot, Bert L.; Grubmueller, Helmut
err分享
err收藏
Lipidic folding pathway of α-Synuclein via a toxic oligomerΑ-突触核蛋白通过有毒低聚物的脂质折叠途径
errNATURE COMMUNICATIONS
IF15.7
err2025-01-17
err1
errOAAI
errSant, Vrinda; Matthes, Dirk; Mazal, Hisham; Antonschmidt, Leif; Wieser, Franz; Movellan, Kumar T.; Xue, Kai; Nimerovsky, Evgeny; Stampolaki, Marianna; Nathan, Magdeline; Riedel, Dietmar; Becker, Stefan; Sandoghdar, Vahid; de Groot, Bert L.; Griesinger, Christian; Andreas, Loren B.
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Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan通过大规模化学突变扫描鉴定多巴胺受体中的别构位点及配体诱导的调控
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errSchmidt, Lisa; de Groot, Bert L.
err分享
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From Selective Permeation to Physiology in Potassium Channels从选择性渗透到钾通道的生理学
errFUNCTION
IF3.8
err2025-01-01
err0
errOAAI
errLee, Sun-Joo; Schillings, Johanna; de Vries, Reinier; Matamoros, Marcos; de Groot, Bert L.; Nichols, Colin G.
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err收藏
Effect of two activators on the gating of a K2P channel
errBIOPHYSICAL JOURNAL
IF3.1
err2024-10-01
err1
errOAAI
errMendez-Otalvaro, Edward; Kopec, Wojciech; de Groot, Bert L.
err分享
err收藏
Biomolecular simulations at the exascale: From drug design to organelles and beyond
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-10-01
err2
errOAAI
errGapsys, Vytautas; Kopec, Wojciech; Matthes, Dirk; de Groot, Bert L.
err分享
err收藏
Selectivity filter mutations shift ion permeation mechanism in potassium channels
errPNAS NEXUS
IF3.8
err2024-07-05
err1
errOAAI
errMironenko, Andrei; de Groot, Bert L.; Kopec, Wojciech
err分享
err收藏
Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-06-19
err8
errOAAI
errHahn, David F.; Gapsys, Vytautas; de Groot, Bert L.; Mobley, David L.; Tresadern, Gary
err分享
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Resolving coupled pH titrations using alchemical free energy calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-03-12
err3
errOAAI
errWilson, Carter J.; de Groot, Bert L.; Gapsys, Vytautas
err分享
err收藏
Molecular basis for human aquaporin inhibition
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-02-06
err1
errOAAI
errHuang, Peng; Abacka, Hannah; Wilson, Carter J.; Wind, Malene Lykke; Rutzler, Michael; Hagstroem-Andersson, Anna; Gourdon, Pontus; de Groot, Bert L.; Venskutonyte, Raminta; Lindkvist-Petersson, Karin
err分享
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Guidelines for Free-Energy Calculations Involving Charge Changes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-02
err9
errOAAI
errPetrov, Drazen; Perthold, Jan Walther; Oostenbrink, Chris; de Groot, Bert L.; Gapsys, Vytautas
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Accurately Predicting Protein pK a Values Using Nonequilibrium Alchemy使用非平衡炼金术准确预测蛋白质pK a值
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-11
err4
errOAAI
errWilson, Carter J.; Karttunen, Mikko; de Groot, Bert L.; Gapsys, Vytautas
err分享
err收藏
Interactions between selectivity filter and pore helix control filter gating in the MthK channel
errJOURNAL OF GENERAL PHYSIOLOGY
IF2.9
err2023-06-15
err7
errOAAI
errKopec, Wojciech; Thomson, Andrew S.; de Groot, Bert L.; Rothberg, Brad S.
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err收藏
Automated relative binding free energy calculations from SMILES to ΔΔG
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-04-27
err10
errOAAI
errMoore, J. Harry; Margreitter, Christian; Janet, Jon Paul; Engkvist, Ola; de Groot, Bert L.; Gapsys, Vytautas
err分享
err收藏
Central cavity dehydration as a gating mechanism of potassium channels
errNATURE COMMUNICATIONS
IF15.7
err2023-04-17
err10
errOAAI
errGu, Ruo-Xu; de Groot, Bert L. L.
err分享
err收藏

研究方向

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合作学者
合作期刊
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H 指数: 105 · 论文数: 962
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Thomas Walz
H 指数: 98 · 论文数: 410
M
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H 指数: 97 · 论文数: 640
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