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Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example. - Abstract - Europe PMC
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IJMS | Free Full-Text | A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins
Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potential | PLOS ONE
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Replica exchange molecular dynamics simulations reveal self-association sites in M-crystallin caused by mutations provide insights of cataract | Scientific Reports
Conformational sampling of metastable states: Tq-REM as a novel replica exchange method - Physical Chemistry Chemical Physics (RSC Publishing)
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Exchange frequency in replica exchange molecular dynamics: The Journal of Chemical Physics: Vol 128, No 2
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Schematic of replica exchange simulations. Multiple copies (replicas)... | Download Scientific Diagram
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Replica exchange with solute tempering: A method for sampling biological systems in explicit water | PNAS
Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering | Journal of Chemical Theory and Computation
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Advanced replica-exchange sampling to study the flexibility and plasticity of peptides and proteins. | Semantic Scholar
Massive replica exchange Monte Carlo algorithm: a tool to access high pressure thermodynamics of hard systems - Physical Chemistry Chemical Physics (RSC Publishing)
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Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations
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All-Atom Molecular Dynamics Simulation Methods for the Aggregation of Protein and Peptides: Replica Exchange/Permutation and Nonequilibrium Simulations | SpringerLink
Skipping the Replica Exchange Ladder with Normalizing Flows | The Journal of Physical Chemistry Letters
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GitHub - invemichele/learned-replica-exchange: Skipping the replica exchange ladder with normalizing flows
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Master defence 2020 - Dmitri Glusco - Replica Exchange For Multiple-Environment Reinforcement Learning
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