| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcc/ChangBCOG08 |
| P356 | DOI | 10.1002/JCC.20936 |
| P932 | PMC publication ID | 3052286 |
| P698 | PubMed publication ID | 18351616 |
| P5875 | ResearchGate publication ID | 5500033 |
| P50 | author | Kate Carroll | Q6375417 |
| David Goodsell | Q19878497 | ||
| Max W Chang | Q56843229 | ||
| P2093 | author name string | Arthur J Olson | |
| Richard K Belew | |||
| P2860 | cites work | A conserved mechanism for sulfonucleotide reduction | Q24811125 |
| Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges | Q28096294 | ||
| A Nonlinear Mapping for Data Structure Analysis | Q29396878 | ||
| A semiempirical free energy force field with charge-based desolvation | Q29614316 | ||
| Evaluating conformational free energies: the colony energy and its application to the problem of loop prediction | Q34064011 | ||
| Substrate recognition, protein dynamics, and iron-sulfur cluster in Pseudomonas aeruginosa adenosine 5'-phosphosulfate reductase. | Q35585311 | ||
| Ligand configurational entropy and protein binding | Q35607011 | ||
| A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs. | Q51630937 | ||
| New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy. | Q51633573 | ||
| Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling | Q57976077 | ||
| Role of binding entropy in the refinement of protein-ligand docking predictions: analysis based on the use of 11 scoring functions | Q79890296 | ||
| Novel statistical-thermodynamic methods to predict protein-ligand binding positions using probability distribution functions | Q81478489 | ||
| P433 | issue | 11 | |
| P304 | page(s) | 1753-1761 | |
| P577 | publication date | 2008-08-01 | |
| P1433 | published in | Journal of Computational Chemistry | Q3186908 |
| P1476 | title | Empirical entropic contributions in computational docking: evaluation in APS reductase complexes | |
| P478 | volume | 29 |
| Q42557837 | A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking |
| Q34377911 | Advances and challenges in protein-ligand docking |
| Q27860652 | AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading |
| Q48247332 | Automatic clustering of docking poses in virtual screening process using self-organizing map. |
| Q28391435 | Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide |
| Q30607323 | Docking challenge: protein sampling and molecular docking performance |
| Q35211087 | Efficient incorporation of protein flexibility and dynamics into molecular docking simulations |
| Q38437117 | Functional Site Discovery in a Sulfur Metabolism Enzyme by Using Directed Evolution. |
| Q35419556 | Inclusion of solvation and entropy in the knowledge-based scoring function for protein-ligand interactions |
| Q33832481 | Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR). |
| Q37090637 | Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors |
| Q28383645 | Theory of free energy and entropy in noncovalent binding |
| Q51083951 | Validation of a computational docking methodology to identify the non-covalent binding site of ligands to DNA. |
| Q34867648 | Virtual Screening with AutoDock: Theory and Practice |
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