| scholarly article | Q13442814 |
| P2093 | author name string | Hagai Meirovitch | |
| Srinath Cheluvaraja | |||
| P2860 | cites work | Equation of State Calculations by Fast Computing Machines | Q5384234 |
| Nonequilibrium Equality for Free Energy Differences | Q21698763 | ||
| Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution | Q28286232 | ||
| Dynamics of folded proteins | Q28287584 | ||
| Studies in Molecular Dynamics. I. General Method | Q29040056 | ||
| beta-Hairpins, alpha-helices, and the intermediates among the secondary structures in the energy landscape of a peptide from a distal beta-hairpin of SH3 domain | Q30164941 | ||
| Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR data | Q30579093 | ||
| Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations | Q31916898 | ||
| A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and water | Q35316024 | ||
| Simulation method for calculating the entropy and free energy of peptides and proteins | Q35316252 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides | Q40441735 | ||
| Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water. | Q40456761 | ||
| Computer simulation of the free energy of peptides with the local states method: analogues of gonadotropin releasing hormone in the random coil and stable states | Q40685170 | ||
| Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method | Q41868273 | ||
| Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force | Q42587806 | ||
| Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories | Q42590321 | ||
| Structural evidence for induced fit as a mechanism for antibody-antigen recognition | Q45203554 | ||
| Evaluating the Accuracy of the Quasiharmonic Approximation | Q46144156 | ||
| Monte Carlo simulations of biomolecules: The MC module in CHARMM. | Q46831849 | ||
| Single-step perturbations to calculate free energy differences from unphysical reference states: limits on size, flexibility, and character | Q47442749 | ||
| Backbone and side chain dynamics of uncomplexed human adipocyte and muscle fatty acid-binding proteins | Q48020079 | ||
| A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules | Q55918670 | ||
| High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases | Q56745022 | ||
| P4510 | describes a project that uses | molecular dynamics simulation | Q901663 |
| P433 | issue | 2 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 24905 | |
| P577 | publication date | 2006-07-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method | |
| P478 | volume | 125 |
| Q43832133 | Absolute free energies of biomolecules from unperturbed ensembles |
| Q39980398 | Absolute free energy and entropy of a mobile loop of the enzyme acetylcholinesterase |
| Q43297790 | Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces |
| Q28391435 | Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide |
| Q28384833 | Develop and test a solvent accessible surface area-based model in conformational entropy calculations |
| Q42180577 | Entropy and Free Energy of a Mobile Loop Based on the Crystal Structures of the Free and Bound Proteins |
| Q42140475 | Entropy and free energy of a mobile protein loop in explicit water |
| Q28393731 | Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach |
| Q28386158 | Extending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction space |
| Q29030427 | Extraction of configurational entropy from molecular simulations via an expansion approximation |
| Q35316212 | Free energy considerations for nucleic acids with dangling ends near a surface: a coarse grained approach |
| Q39958434 | Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics |
| Q37276103 | Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding |
| Q42593384 | Relative stability of the open and closed conformations of the active site loop of streptavidin |
| Q45393755 | The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect. |
| Q36955733 | The origin of the cooperativity in the streptavidin-biotin system: A computational investigation through molecular dynamics simulations |
| Q28390933 | Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effects |
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