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Jose C. Flores-Canales
Jose C. Flores-Canales
Aarhus University
Biophysics
Molecular dynamics
Substrate (chemistry)
Chemistry
Enzyme
7
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4
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Baseline Comparisons of Complementary Sampling Methods for Assembly Driven by Short-Ranged Pair Potentials toward Fast and Flexible Hybridization.
2021
Journal of Chemical Theory and Computation
Aysegul Ozkan
Meera Sitharam
Jose C. Flores-Canales
Rahul Prabhu
Maria Kurnikova
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Simulating Multiple Substrate Binding Events by γ-Glutamyltransferase using Accelerated Molecular Dynamics
2020
bioRxiv
Francesco Oliva
Jose C. Flores-Canales
Stefano Pieraccini
Carlo F. Morelli
Maurizio Sironi
Birgit Schiøtt
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Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics.
2020
Journal of Physical Chemistry B
Francesco Oliva
Jose C. Flores-Canales
Stefano Pieraccini
Carlo F. Morelli
Maurizio Sironi
Birgit Schiøtt
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Microsecond Molecular Dynamics Simulations of Diphtheria Toxin Translocation T-Domain pH-Dependent Unfolding in Solution
2019
bioRxiv
Jose C. Flores-Canales
Nikolay Simakov
Maria Kurnikova
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