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Journal of Chemical Theory and Computation
|
April 27, 2021
What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models
Ernesto Suárez, Rafal P Wiewiora, Chris Wehmeyer, et al.
JACS Au
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November 1, 2024
Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design
Yunrui Qiu, Rafal P Wiewiora, Jesus A Izaguirre, et al.
The Journal of Physical Chemistry. A
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June 14, 2023
Molecular Latent Space Simulators for Distributed and Multimolecular Trajectories
Michael S Jones, Zachary A McDargh, Rafal P Wiewiora, et al.
Elife
|
August 14, 2019
Ancestral reconstruction reveals mechanisms of ERK regulatory evolution
Dajun Sang, Sudarshan Pinglay, Rafal P Wiewiora, et al.
Plos Computational Biology
|
July 27, 2017
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
Peter Eastman, Jason Swails, John D Chodera, et al.
Nature Chemistry
|
May 25, 2021
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Biorxiv : the Preprint Server for Biology
|
July 9, 2020
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Elife
|
May 14, 2019
The dynamic conformational landscape of the protein methyltransferase SETD8
Shi Chen, Rafal P Wiewiora, Fanwang Meng, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 27, 2021
What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models
Ernesto Suárez, Rafal P Wiewiora, Chris Wehmeyer, et al.
JACS Au
|
November 1, 2024
Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design
Yunrui Qiu, Rafal P Wiewiora, Jesus A Izaguirre, et al.
The Journal of Physical Chemistry. A
|
June 14, 2023
Molecular Latent Space Simulators for Distributed and Multimolecular Trajectories
Michael S Jones, Zachary A McDargh, Rafal P Wiewiora, et al.
Elife
|
August 14, 2019
Ancestral reconstruction reveals mechanisms of ERK regulatory evolution
Dajun Sang, Sudarshan Pinglay, Rafal P Wiewiora, et al.
Plos Computational Biology
|
July 27, 2017
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
Peter Eastman, Jason Swails, John D Chodera, et al.
Nature Chemistry
|
May 25, 2021
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Biorxiv : the Preprint Server for Biology
|
July 9, 2020
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Elife
|
May 14, 2019
The dynamic conformational landscape of the protein methyltransferase SETD8
Shi Chen, Rafal P Wiewiora, Fanwang Meng, et al.
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of 1