Matches in SemOpenAlex for { <https://semopenalex.org/work/W3114667050> ?p ?o ?g. }
Showing items 1 to 73 of
73
with 100 items per page.
- W3114667050 abstract "The hydration of a biomolecule with a fixed structure can be decomposed into the following two processes: process 1, the hydrophobic hydration, where a cavity matching the polyatomic structure of the biomolecule is created; and process 2 where biomolecule-water van der Waals and electrostatic interaction potentials are taken into account. In process 1, the cavity is treated as a solute in the angle-dependent integral equation (ADIE) theory, the most reliable statistical-mechanical theory for solute hydration. However, such a complexly shaped solute cannot directly be handled by the ADIE theory because of the mathematical complications encountered. We have solved this problem by combining the ADIE theory with the morphometric approach (MA). In this chapter, we briefly summarize the basic characteristics of the MA. Our new hybrid method where this ADIE-MA theory and the three-dimensional reference interaction site model (3D-RISM) theory are applied to processes 1 and 2, respectively, is capable of calculating the hydration free energy, energy, and entropy of a large polyatomic solute like a protein with sufficient accuracy and high speed." @default.
- W3114667050 created "2021-01-05" @default.
- W3114667050 creator A5020938031 @default.
- W3114667050 date "2020-12-30" @default.
- W3114667050 modified "2023-09-27" @default.
- W3114667050 title "Appendix 2: Morphometric Approach" @default.
- W3114667050 cites W1965016619 @default.
- W3114667050 cites W1966649589 @default.
- W3114667050 cites W1970973025 @default.
- W3114667050 cites W1991274681 @default.
- W3114667050 cites W2008020638 @default.
- W3114667050 cites W2023995653 @default.
- W3114667050 cites W2026569704 @default.
- W3114667050 cites W2036149598 @default.
- W3114667050 cites W2043429268 @default.
- W3114667050 cites W2047631698 @default.
- W3114667050 cites W2058313185 @default.
- W3114667050 cites W2075468840 @default.
- W3114667050 cites W2092956715 @default.
- W3114667050 cites W2094779443 @default.
- W3114667050 cites W2168551042 @default.
- W3114667050 cites W2884047721 @default.
- W3114667050 cites W2944221780 @default.
- W3114667050 cites W2960097469 @default.
- W3114667050 cites W3006213674 @default.
- W3114667050 cites W3012224772 @default.
- W3114667050 cites W3081218733 @default.
- W3114667050 doi "https://doi.org/10.1007/978-981-33-6232-1_6" @default.
- W3114667050 hasPublicationYear "2020" @default.
- W3114667050 type Work @default.
- W3114667050 sameAs 3114667050 @default.
- W3114667050 citedByCount "0" @default.
- W3114667050 crossrefType "book-chapter" @default.
- W3114667050 hasAuthorship W3114667050A5020938031 @default.
- W3114667050 hasConcept C121332964 @default.
- W3114667050 hasConcept C121864883 @default.
- W3114667050 hasConcept C126061179 @default.
- W3114667050 hasConcept C171250308 @default.
- W3114667050 hasConcept C185592680 @default.
- W3114667050 hasConcept C192562407 @default.
- W3114667050 hasConcept C32909587 @default.
- W3114667050 hasConcept C49853544 @default.
- W3114667050 hasConcept C62520636 @default.
- W3114667050 hasConcept C66594872 @default.
- W3114667050 hasConcept C97355855 @default.
- W3114667050 hasConceptScore W3114667050C121332964 @default.
- W3114667050 hasConceptScore W3114667050C121864883 @default.
- W3114667050 hasConceptScore W3114667050C126061179 @default.
- W3114667050 hasConceptScore W3114667050C171250308 @default.
- W3114667050 hasConceptScore W3114667050C185592680 @default.
- W3114667050 hasConceptScore W3114667050C192562407 @default.
- W3114667050 hasConceptScore W3114667050C32909587 @default.
- W3114667050 hasConceptScore W3114667050C49853544 @default.
- W3114667050 hasConceptScore W3114667050C62520636 @default.
- W3114667050 hasConceptScore W3114667050C66594872 @default.
- W3114667050 hasConceptScore W3114667050C97355855 @default.
- W3114667050 hasLocation W31146670501 @default.
- W3114667050 hasOpenAccess W3114667050 @default.
- W3114667050 hasPrimaryLocation W31146670501 @default.
- W3114667050 hasRelatedWork W11065062 @default.
- W3114667050 hasRelatedWork W11141175 @default.
- W3114667050 hasRelatedWork W11228774 @default.
- W3114667050 hasRelatedWork W14522803 @default.
- W3114667050 hasRelatedWork W21405581 @default.
- W3114667050 hasRelatedWork W23563235 @default.
- W3114667050 hasRelatedWork W26058111 @default.
- W3114667050 hasRelatedWork W27984372 @default.
- W3114667050 hasRelatedWork W6321496 @default.
- W3114667050 hasRelatedWork W9313001 @default.
- W3114667050 isParatext "false" @default.
- W3114667050 isRetracted "false" @default.
- W3114667050 magId "3114667050" @default.
- W3114667050 workType "book-chapter" @default.