Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Variational cross-validation of slow dynamical modes in molecular kineticsMcGibbon, Robert T ; Pande, Vijay SThe Journal of chemical physics, 2015-03, Vol.142 (12), p.124105-124105 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
|
2 |
Material Type: Artigo
|
OpenMM 7: Rapid development of high performance algorithms for molecular dynamicsEastman, Peter ; Swails, Jason ; Chodera, John D ; McGibbon, Robert T ; Zhao, Yutong ; Beauchamp, Kyle A ; Wang, Lee-Ping ; Simmonett, Andrew C ; Harrigan, Matthew P ; Stern, Chaya D ; Wiewiora, Rafal P ; Brooks, Bernard R ; Pande, Vijay S Gentleman, RobertPLoS computational biology, 2017-07, Vol.13 (7), p.e1005659-e1005659 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
|
3 |
Material Type: Artigo
|
MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics TrajectoriesMcGibbon, Robert T. ; Beauchamp, Kyle A. ; Harrigan, Matthew P. ; Klein, Christoph ; Swails, Jason M. ; Hernández, Carlos X. ; Schwantes, Christian R. ; Wang, Lee-Ping ; Lane, Thomas J. ; Pande, Vijay S.Biophysical journal, 2015-10, Vol.109 (8), p.1528-1532 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
|
4 |
Material Type: Artigo
|
MSMBuilder: Statistical Models for Biomolecular DynamicsHarrigan, Matthew P. ; Sultan, Mohammad M. ; Hernández, Carlos X. ; Husic, Brooke E. ; Eastman, Peter ; Schwantes, Christian R. ; Beauchamp, Kyle A. ; McGibbon, Robert T. ; Pande, Vijay S.Biophysical journal, 2017-01, Vol.112 (1), p.10-15 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
|
5 |
Material Type: Artigo
|
Automated Discovery and Refinement of Reactive Molecular Dynamics PathwaysWang, Lee-Ping ; McGibbon, Robert T ; Pande, Vijay S ; Martinez, Todd JJournal of chemical theory and computation, 2016-02, Vol.12 (2), p.638-649 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
6 |
Material Type: Artigo
|
Optimized parameter selection reveals trends in Markov state models for protein foldingHusic, Brooke E. ; McGibbon, Robert T. ; Sultan, Mohammad M. ; Pande, Vijay S.The Journal of chemical physics, 2016-11, Vol.145 (19), p.194103-194103 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
|
7 |
Material Type: Artigo
|
Electrocatalytic Carbon Dioxide Activation: The Rate-Determining Step of Pyridinium-Catalyzed CO2 ReductionMorris, Amanda J. ; McGibbon, Robert T. ; Bocarsly, Andrew B.ChemSusChem, 2011-02, Vol.4 (2), p.191-196 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
|
8 |
Material Type: Artigo
|
Efficient maximum likelihood parameterization of continuous-time Markov processesMcGibbon, Robert T ; Pande, Vijay SThe Journal of chemical physics, 2015-07, Vol.143 (3), p.034109-034109 [Periódico revisado por pares]United States: AIP Publishing LLCTexto completo disponível |
|
9 |
Material Type: Artigo
|
Statistical Model Selection for Markov Models of Biomolecular DynamicsMcGibbon, Robert T ; Schwantes, Christian R ; Pande, Vijay SThe journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6475-6481 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
10 |
Material Type: Artigo
|
Quantum chemical benchmark databases of gold-standard dimer interaction energiesDonchev, Alexander G ; Taube, Andrew G ; Decolvenaere, Elizabeth ; Hargus, Cory ; McGibbon, Robert T ; Law, Ka-Hei ; Gregersen, Brent A ; Li, Je-Luen ; Palmo, Kim ; Siva, Karthik ; Bergdorf, Michael ; Klepeis, John L ; Shaw, David EScientific data, 2021-02, Vol.8 (1), p.55-55, Article 55 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |