Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example

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Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

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<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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