| scholarly article | Q13442814 |
| P50 | author | Takahisa Ikegami | Q56452527 |
| P2093 | author name string | Daisuke Yokogawa | |
| P2860 | cites work | An efficient newton-like method for molecular mechanics energy minimization of large molecules | Q29543705 |
| Ligand configurational entropy and protein binding | Q35607011 | ||
| Calculation of free-energy differences by confinement simulations. Application to peptide conformers | Q37010049 | ||
| 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 | ||
| Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation | Q46221411 | ||
| Predicting conformational entropy of bond vectors in proteins by networks of coupled rotators. | Q51861803 | ||
| DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. | Q52303675 | ||
| Replica-exchange molecular dynamics method for protein folding | Q55879366 | ||
| A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules | Q55918670 | ||
| THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method | Q56157177 | ||
| P433 | issue | 22 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | density functional theory | Q1048589 |
| P304 | page(s) | 221101 | |
| P577 | publication date | 2009-12-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | A robust approach to calculate entropy change based on density functional theory in the energy representation. | |
| P478 | volume | 131 |
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