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Direct methods for computing single‐molecule entropies from molecular simulations
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Correlated Motions and Interactions at the Onset of the DNA-Induced Partial Unfolding of Ets-1
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Adaptive Anisotropic Kernels for Nonparametric Estimation of Absolute Configurational Entropies in High-Dimensional Configuration Spaces
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Configurational Entropy in Protein–Peptide Binding:
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Calculation of Proteins’ Total Side-Chain Torsional Entropy and Its Influence on Protein–Ligand Interactions
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Characterization of the Fast Dynamics of Protein Amino Acid Side Chains Using NMR Relaxation in Solution
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Configurational Entropy Reallocation and Complex Loop Dynamics of the Mosquito-Stage Pvs25 Protein Complexed with the Fab Fragment of the Malaria Transmission Blocking Antibody 2A8
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Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature
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Will molecular dynamics simulations of proteins ever reach equilibrium?
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Entropy–enthalpy transduction caused by conformational shifts can obscure the forces driving protein–ligand binding
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Nearest Neighbor Estimates of Entropy
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In silico Relationship between Configurational Entropy and Soft Degrees of Freedom in Proteins and Peptides
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