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Noe, Frank
Free University of Berlin
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发表时间
发表时间
IF
被引数
Machine Learning Frontier Orbital Energies of Nanodiamonds
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2023-04-13
4
OA
AI
Kirschbaum, Thorren; Dzubiella, Joachim; Bande, Annika; Noe, Frank; von Seggern, Boerries
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Machine Learning for Molecular Simulation
用于分子模拟的机器学习
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF
0
2020-04-20
562
OA
AI
Noe, Frank; Tkatchenko, Alexandre; Mueller, Klaus-Robert; Clementi, Cecilia
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Machine Learning Methods to Push All-Atom MD Beyond the Seconds Timescale and Simulate Protein-Protein Association and Dissociation
BIOPHYSICAL JOURNAL
IF
3.1
2019-02-01
0
OA
AI
Noe, Frank
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Multiensemble Markov models of molecular thermodynamics and kinetics (vol 113, pg E3221, 2016)
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF
9.1
2017-07-24
0
OA
AI
Wu, Hao; Paul, Fabian; Wehmeyer, Christoph; Noe, Frank
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Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2014-12-02
84
OA
AI
Wu, Hao; Mey, Antonia S. J. S.; Rosta, Edina; Noe, Frank
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xTRAM: Estimating Equilibrium Expectations from Time-Correlated Simulation Data at Multiple Thermodynamic States
PHYSICAL REVIEW X
IF
15.7
2014-10-29
47
OA
AI
Mey, Antonia S. J. S.; Wu, Hao; Noe, Frank
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Spectral Rate Theory for Two-State Kinetics
PHYSICAL REVIEW X
IF
15.7
2014-02-21
22
OA
AI
Prinz, Jan-Hendrik; Chodera, John D.; Noe, Frank
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Projected and hidden Markov models for calculating kinetics and metastable states of complex molecules
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2013-11-13
146
OA
AI
Noe, Frank; Wu, Hao; Prinz, Jan-Hendrik; Plattner, Nuria
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Identification of slow molecular order parameters for Markov model construction
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2013-07-03
825
OA
AI
Perez-Hernandez, Guillermo; Paul, Fabian; Giorgino, Toni; De Fabritiis, Gianni; Noe, Frank
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Efficient Bayesian estimation of Markov model transition matrices with given stationary distribution
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2013-04-24
34
OA
AI
Trendelkamp-Schroer, Benjamin; Noe, Frank
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研究方向
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合作学者
合作期刊
A
Alexandre Tkatchenko
H 指数: 82 · 论文数: 513
J
John D. Chodera
H 指数: 68 · 论文数: 340
G
Gianni De Fabritiis
H 指数: 50 · 论文数: 242
E
Edina Rosta
H 指数: 43 · 论文数: 180
A
Antonia S. J. S. Mey
H 指数: 21 · 论文数: 86
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