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T

Tristan Bereau

chu lyon

27H指数
177论文数
2.5K被引数
收录论文 65
发表时间
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Fast Parametrization of Martini3 Models for Fragments and Small Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errSzczuka, Magdalena; Pereira, Gilberto P.; Walter, Luis J.; Gueroult, Marc; Poulain, Pierre; Bereau, Tristan; Souza, Paulo C. T.; Chavent, Matthieu
err分享
err收藏
Fokker–Planck Score Learning: Efficient Free-Energy Estimation under Periodic Boundary ConditionsFokker–Planck 分数学习：周期性边界条件下的高效自由能估计
errThe Journal of Physical Chemistry B
IF2.9
err2025-10-30
err0
PREAI
errDaniel Nagel; Tristan Bereau
err分享
err收藏
Navigating Chemical Space: Multi-Level Bayesian Optimization with Hierarchical Coarse-Graining导航化学空间：多级贝叶斯优化与层级粗粒化
errChem. Sci.
IF7.4
err2025-08-01
err0
errOAAI
errLuis J. Walter; Tristan Bereau
err分享
err收藏
Solvation free energies from neural thermodynamic integration
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
errOAAI
errMate, Balint; Fleuret, Francois; Bereau, Tristan
err分享
err收藏
Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-02
err0
PREAI
errBereau, Tristan; Walter, Luis J.; Rudzinski, Joseph F.
err分享
err收藏
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-08-12
err0
errOAAI
errGryn'ova, Ganna; Bereau, Tristan; Muller, Carolin; Friederich, Pascal; Wade, Rebecca C.; Nunes-Alves, Ariane; Soares, Thereza A.; Merz Jr, Kenneth
err分享
err收藏
Data-mining unveils structure-property-activity correlation of viral infectivity enhancing self-assembling peptides
errNATURE COMMUNICATIONS
IF15.7
err2023-08-23
err8
errOAAI
errKaygisiz, Kuebra; Rauch-Wirth, Lena; Dutta, Arghya; Yu, Xiaoqing; Nagata, Yuki; Bereau, Tristan; Muench, Jan; Synatschke, Christopher V.; Weil, Tanja
err分享
err收藏
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics分子动力学中连接结构和热力学的凝聚相分子表示
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-03
err2
errOAAI
errMohr, Bernadette; van der Mast, Diego; Bereau, Tristan
err分享
err收藏
Induced asymmetries in membranes
errBIOPHYSICAL JOURNAL
IF3.1
err2023-06-01
err7
errOAAI
errGirard, Martin; Bereau, Tristan
err分享
err收藏
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings
errBIOMATERIALS SCIENCE
IF5.7
err2023-01-01
err10
errOAAI
errKaygisiz, Kuebra; Dutta, Arghya; Rauch-Wirth, Lena; Synatschke, Christopher V.; Muench, Jan; Bereau, Tristan; Weil, Tanja
err分享
err收藏
Benchmarking coarse-grained models of organic semiconductors via deep backmapping
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-09-09
err5
errOAAI
errStieffenhofer, Marc; Scherer, Christoph; May, Falk; Bereau, Tristan; Andrienko, Denis
err分享
err收藏
Broad chemical transferability in structure-based coarse-graining
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-08
err7
errOAAI
errKanekal, Kiran H.; Rudzinski, Joseph F.; Bereau, Tristan
err分享
err收藏
FAIR data enabling new horizons for materials research公平数据为材料研究开辟新视野
errNATURE
IF48.5
err2022-04-27
err100
errOAAI
errScheffler, Matthias; Aeschlimann, Martin; Albrecht, Martin; Bereau, Tristan; Bungartz, Hans-Joachim; Felser, Claudia; Greiner, Mark; Gross, Axel; Koch, Christoph T.; Kremer, Kurt; Nagel, Wolfgang E.; Scheidgen, Markus; Woell, Christof; Draxl, Claudia
err分享
err收藏
Data-driven discovery of cardiolipin-selective small molecules by computational active learning
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err27
errOAAI
errMohr, Bernadette; Shmilovich, Kirill; Kleinwaechter, Isabel S.; Schneider, Dirk; Ferguson, Andrew L.; Bereau, Tristan
err分享
err收藏
CLiB - a novel cardiolipin-binder isolated via data-driven and in vitro screening
errRSC CHEMICAL BIOLOGY
IF3.1
err2022-01-01
err2
errOAAI
errKleinwachter, Isabel; Mohr, Bernadette; Joppe, Aljoscha; Hellmann, Nadja; Bereau, Tristan; Osiewacz, Heinz D.; Schneider, Dirk
err分享
err收藏
Data-driven equation for drug-membrane permeability across drugs and membranes (vol 154, 244114, 2021)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-19
err0
PREAI
errDutta, Arghya; Vreeken, Jilles; Ghiringhelli, Luca M.; Bereau, Tristan
err分享
err收藏
Data-driven equation for drug-membrane permeability across drugs and membranes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-06-29
err12
errOAAI
errDutta, Arghya; Vreeken, Jilles; Ghiringhelli, Luca M.; Bereau, Tristan
err分享
err收藏
Finite-size transitions in complex membranes
errBIOPHYSICAL JOURNAL
IF3.1
err2021-06-01
err3
errOAAI
errGirard, Martin; Bereau, Tristan
err分享
err收藏
Computer simulations of lipid regulation by molecular semigrand canonical ensembles
errBIOPHYSICAL JOURNAL
IF3.1
err2021-06-01
err2
errOAAI
errGirard, Martin; Bereau, Tristan
err分享
err收藏
Reweighting non-equilibrium steady-state dynamics along collective variables
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-01
err3
errOAAI
errBause, Marius; Bereau, Tristan
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Matthias Scheffler
H 指数: 133 · 论文数: 1.0K
C
Claudia Felser
H 指数: 122 · 论文数: 1.5K
C
Christof Wöll
H 指数: 108 · 论文数: 1.0K
T
Tuomas P. J. Knowles
H 指数: 103 · 论文数: 730
M
Mischa Bonn
H 指数: 103 · 论文数: 892
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