Robert T. McGibbon
2012–2021 年に発表
- 15
- 論文数
- 42,348
- 被引用数
- 13
- h 指数
- 13
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology25.2%
- Computer Science19.8%
- Medicine13.1%
- Engineering9.8%
- Physics and Astronomy7.4%
- Neuroscience6.8%
- その他17.9%
トピック
- Protein Structure and Dynamics3.1%
- Computational Drug Discovery Methods1.9%
- Machine Learning in Materials Science1.6%
- RNA and protein synthesis mechanisms1.4%
- Neural dynamics and brain function1.2%
- Quantum Computing Algorithms and Architecture1%
- その他89.8%
共著者
- Vijay S. Pande10
- Brooke E. Husic4
- Andrew G. Taube3
- Carlos X. Hernández3
- Christian R. Schwantes3
- David E. Shaw3
- John L. Klepeis3
- Kyle A. Beauchamp3
- Lee‐Ping Wang3
- Matthew P. Harrigan3
- Mohammad M. Sultan3
- Alexander Donchev2
- Cory Hargus2
- Ka-Hei Law2
- Karthik Siva2
- Todd J. Martı́nez2
- A.V. Titov1
- Andrew R. J. Nelson1
- Brent A. Gregersen1
- C J Carey1
- Charles R. Harris1
- Christoph Klein1
- Daniel D. Richman1
- David Cournapeau1
全論文
- SciPy 1.0: fundamental algorithms for scientific computing in Python
著者: Pauli Virtanen, Ralf Gommers, Travis E. Oliphant, Matt Haberland, Tyler Reddy, David Cournapeau, Evgeni Burovski, Pearu Peterson, Warren Weckesser, Jonathan Bright, Stéfan J. van der Walt, Matthew Brett, Joshua Wilson, K. Jarrod Millman, Nikolay Mayorov, Andrew R. J. Nelson, Eric Jones, Robert Kern, Eric Larson, C J Carey, İlhan Polat, Yu Feng, Eric W. Moore, Jake VanderPlas, Denis Laxalde, Josef Perktold, Robert Cimrman, Ian Henriksen, E. A. Quintero, Charles R. Harris, Anne M. Archibald, Antônio H. Ribeiro, Fabian Pedregosa, Paul van Mulbregt, SciPy 1.0 Contributors, Aditya Vijaykumar, Alessandro Pietro Bardelli, Alex Rothberg, Andreas Hilboll, Andreas Kloeckner, Anthony Scopatz, Antony Lee, Ariel Rokem, C. Nathan Woods, Chad Fulton, Charles Masson, Christian Häggström, Clark Fitzgerald, David A. Nicholson, David R. Hagen, Dmitrii V. Pasechnik, Emanuele Olivetti, Eric Martin, Eric Wieser, Fabrice Silva, Felix Lenders, Florian Wilhelm, G. Young, Gavin A. Price, Gert-Ludwig Ingold, Gregory E. Allen, Gregory R. Lee, Hervé Audren, Irvin Probst, Jörg P. Dietrich, Jacob Silterra, James T Webber, Janko Slavič, Joel Nothman, Johannes Buchner, Johannes Kulick, Johannes L. Schönberger, José Vinícius de Miranda Cardoso, Joscha Reimer, Joseph Harrington, Juan Luis Cano Rodríguez, Juan Nunez-Iglesias, Justin Kuczynski, Kevin Tritz, Martin Thoma, Matthew Newville, Matthias Kümmerer, Maximilian Bolingbroke, Michael Tartre, Mikhail Pak, Nathaniel J. Smith, Nikolai Nowaczyk, Nikolay Shebanov, Oleksandr Pavlyk, Per A. Brodtkorb, Perry Lee, Robert T. McGibbon, Roman Feldbauer, Sam Lewis, Sam Tygier, Scott Sievert, Sebastiano Vigna, Stefan Peterson, Surhud More, Tadeusz Pudlik ほか 12 名 - Nature Methods 2020 被引用: 37,936
- MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
著者: Robert T. McGibbon, Kyle A. Beauchamp, Matthew P. Harrigan, Christoph Klein, Jason Swails, Carlos X. Hernández, Christian R. Schwantes, Lee‐Ping Wang, Thomas J. Lane, Vijay S. Pande - Biophysical Journal 2015 被引用: 2,570
- Quantum chemical benchmark databases of gold-standard dimer interaction energies
著者: Alexander Donchev, Andrew G. Taube, Elizabeth Decolvenaere, Cory Hargus, Robert T. McGibbon, Ka-Hei Law, Brent A. Gregersen, Je-Luen Li, Kim Palmö, Karthik Siva, Michael Bergdorf, John L. Klepeis, David E. Shaw - Scientific Data 2021 被引用: 111
- MSMBuilder: Statistical Models for Biomolecular Dynamics
著者: Matthew P. Harrigan, Mohammad M. Sultan, Carlos X. Hernández, Brooke E. Husic, Peter Eastman, Christian R. Schwantes, Kyle A. Beauchamp, Robert T. McGibbon, Vijay S. Pande - Biophysical Journal 2017 被引用: 297
- Discovering chemistry with an ab initio nanoreactor
著者: Lee‐Ping Wang, A.V. Titov, Robert T. McGibbon, Fang Liu, Vijay S. Pande, Todd J. Martı́nez - Nature Chemistry 2014 被引用: 455
- Variational cross-validation of slow dynamical modes in molecular kinetics
著者: Robert T. McGibbon, Vijay S. Pande - The Journal of Chemical Physics 2015 被引用: 229
- Improving the accuracy of Møller-Plesset perturbation theory with neural networks
著者: Robert T. McGibbon, Andrew G. Taube, Alexander Donchev, Karthik Siva, Felipe Hernández, Cory Hargus, Ka-Hei Law, John L. Klepeis, David E. Shaw - The Journal of Chemical Physics 2017 被引用: 108
- Identification of simple reaction coordinates from complex dynamics
著者: Robert T. McGibbon, Brooke E. Husic, Vijay S. Pande - The Journal of Chemical Physics 2017 被引用: 103
- Simple few-state models reveal hidden complexity in protein folding
著者: Kyle A. Beauchamp, Robert T. McGibbon, Yu‐Shan Lin, Vijay S. Pande - National Academy of Sciences, Proceedings of the National Academy of Sciences 2012 被引用: 174
- Automated Discovery and Refinement of Reactive Molecular Dynamics Pathways
著者: Lee‐Ping Wang, Robert T. McGibbon, Vijay S. Pande, Todd J. Martı́nez - Journal of Chemical Theory and Computation 2015 被引用: 152
- Optimized parameter selection reveals trends in Markov state models for protein folding
著者: Brooke E. Husic, Robert T. McGibbon, Mohammad M. Sultan, Vijay S. Pande - The Journal of Chemical Physics 2016 被引用: 76
- Perspective: Markov models for long-timescale biomolecular dynamics
著者: Christian R. Schwantes, Robert T. McGibbon, Vijay S. Pande - The Journal of Chemical Physics 2014 被引用: 91
- Efficient hyperparameter optimization by way of PAC-Bayes bound minimization
著者: John J. Cherian, Andrew G. Taube, Robert T. McGibbon, Panagiotis Angelikopoulos, Guy Blanc, Michael Snarski, Daniel D. Richman, John L. Klepeis, David E. Shaw - arXiv (Cornell University), CoRR 2020 被引用: 6
- Osprey: Hyperparameter Optimization for Machine Learning
著者: Robert T. McGibbon, Carlos X. Hernández, Matthew P. Harrigan, Steven Kearnes, Mohammad M. Sultan, Stanislaw Jastrzebski, Brooke E. Husic, Vijay S. Pande - The Journal of Open Source Software, J. Open Source Softw. 2016 被引用: 40
- Home Page
著者: Robert McGibbon, Robert T. McGibbon 被引用: 0
全 15 件を表示しました。
