المؤلفون: Michele Invernizzi (6426200), Andreas Krämer (3286917), Cecilia Clementi (652105), Frank Noé (1333794)

مصطلحات موضوعية: Biophysics, Medicine, Genetics, Molecular Biology, Biotechnology, Cancer, Computational Biology, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, simulate intermediate replicas, deep generative models, computational cost compared, allowing direct exchanges, standard replica exchange, replica exchange ladder, combine replica exchange, mixing replica, two without, target distribution, significantly reduce, rare events, previous methods, parallel tempering, normalizing flows, normalizing flow, efficient method, boltzmann generators

Relation: https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702652

الاتاحة: https://doi.org/10.1021/acs.jpclett.2c03327.s001

المؤلفون: Michele Invernizzi (6426200), Andreas Krämer (3286917), Cecilia Clementi (652105), Frank Noé (1333794)

مصطلحات موضوعية: Biophysics, Medicine, Genetics, Molecular Biology, Biotechnology, Cancer, Computational Biology, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, simulate intermediate replicas, deep generative models, computational cost compared, allowing direct exchanges, standard replica exchange, replica exchange ladder, combine replica exchange, mixing replica, two without, target distribution, significantly reduce, rare events, previous methods, parallel tempering, normalizing flows, normalizing flow, efficient method, boltzmann generators

Relation: https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702655

الاتاحة: https://doi.org/10.1021/acs.jpclett.2c03327.s002

المؤلفون: Mohsen Sadeghi (4692082), Frank Noé (1333794)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Cell Biology, Genetics, Molecular Biology, Developmental Biology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, reflect local curvatures, significant membrane remodeling, bilayer membrane bestrewed, resolving dynamics, physical effects, often due, mediated interactions, length scales, lateral dynamics, key role, grained model, extremely challenging, equilibrium distributions, cellular trafficking

Relation: https://figshare.com/articles/journal_contribution/Thermodynamics_and_Kinetics_of_Aggregation_of_Flexible_Peripheral_Membrane_Proteins/16862167

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c02954.s001

المؤلفون: Ernesto Suárez (1325961), Rafal P. Wiewiora (4278922), Chris Wehmeyer (10708892), Frank Noé (1333794), John D. Chodera (1323594), Daniel M. Zuckerman (1325964)

مصطلحات موضوعية: Biophysics, Medicine, Sociology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, transition path mechanisms, MFPT, Protein-Folding Models Markov state., MSM, relaxation time scales, Markov State Models, MD, path-based observables

Relation: https://figshare.com/articles/journal_contribution/What_Markov_State_Models_Can_and_Cannot_Do_Correlation_versus_Path-Based_Observables_in_Protein-Folding_Models/14495045

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01154.s001

المؤلفون: Mohsen Sadeghi (4692082), Frank Noé (1333794)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Cell Biology, Genetics, Molecular Biology, Developmental Biology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, reflect local curvatures, significant membrane remodeling, bilayer membrane bestrewed, resolving dynamics, physical effects, often due, mediated interactions, length scales, lateral dynamics, key role, grained model, extremely challenging, equilibrium distributions, cellular trafficking

Relation: https://figshare.com/articles/media/Thermodynamics_and_Kinetics_of_Aggregation_of_Flexible_Peripheral_Membrane_Proteins/16862170

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c02954.s002