Revision history of "Free energy simulations: the meaning of the individual contributions from a component analysis." (Q52372238)

13 August 2024

• curprev 06:5306:53, 13 August 2024 ԱշբոտՏՆՂ talk contribs 57,423 bytes +152 ‎Added [hy] description: գիտական հոդված հրատարակված 1994 թվականի սեպտեմբերին, based on en:scientific article published in September 1994 undo

14 October 2022

• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 57,271 bytes +1,147 ‎Added reference to claim: cites work (P2860): CHARMM: A program for macromolecular energy, minimization, and dynamics calculations (Q53340989), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 56,124 bytes +419 ‎Created claim: cites work (P2860): CHARMM: A program for macromolecular energy, minimization, and dynamics calculations (Q53340989), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 55,705 bytes +1,147 ‎Added reference to claim: cites work (P2860): Relationships between apparent binding energies measured in site-directed mutagenesis experiments and energetics of binding and catalysis (Q68343033), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 54,558 bytes +419 ‎Created claim: cites work (P2860): Relationships between apparent binding energies measured in site-directed mutagenesis experiments and energetics of binding and catalysis (Q68343033), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 54,139 bytes +1,147 ‎Added reference to claim: cites work (P2860): The limits of simulations (Q72589769), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 52,992 bytes +419 ‎Created claim: cites work (P2860): The limits of simulations (Q72589769), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 52,573 bytes +1,147 ‎Added reference to claim: cites work (P2860): Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase (Q37637250), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 51,426 bytes +419 ‎Created claim: cites work (P2860): Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase (Q37637250), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 51,007 bytes +1,147 ‎Added reference to claim: cites work (P2860): The sixth Datta Lecture. Protein folding and stability: the pathway of folding of barnase (Q40918578), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 49,860 bytes +419 ‎Created claim: cites work (P2860): The sixth Datta Lecture. Protein folding and stability: the pathway of folding of barnase (Q40918578), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 49,441 bytes +1,147 ‎Added reference to claim: cites work (P2860): Free energy perturbation study on a Trp-binding mutant (Ser88-->Cys) of the trp-repressor. (Q54668480), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 48,294 bytes +419 ‎Created claim: cites work (P2860): Free energy perturbation study on a Trp-binding mutant (Ser88-->Cys) of the trp-repressor. (Q54668480), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 47,875 bytes +1,147 ‎Added reference to claim: cites work (P2860): Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant (Q50150501), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 46,728 bytes +419 ‎Created claim: cites work (P2860): Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant (Q50150501), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 46,309 bytes +1,147 ‎Added reference to claim: cites work (P2860): pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model (Q29302657), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 45,162 bytes +419 ‎Created claim: cites work (P2860): pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model (Q29302657), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 44,743 bytes +1,147 ‎Added reference to claim: cites work (P2860): Simulation analysis of the stability mutant R96H of T4 lysozyme. (Q52451866), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 43,596 bytes +419 ‎Created claim: cites work (P2860): Simulation analysis of the stability mutant R96H of T4 lysozyme. (Q52451866), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 43,177 bytes +1,147 ‎Added reference to claim: cites work (P2860): Energetics of charge-charge interactions in proteins. (Q52427206), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 42,030 bytes +419 ‎Created claim: cites work (P2860): Energetics of charge-charge interactions in proteins. (Q52427206), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 41,611 bytes +1,147 ‎Added reference to claim: cites work (P2860): Can the stability of protein mutants be predicted by free energy calculations? (Q70747550), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 40,464 bytes +418 ‎Created claim: cites work (P2860): Can the stability of protein mutants be predicted by free energy calculations? (Q70747550), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 40,046 bytes +1,147 ‎Added reference to claim: cites work (P2860): Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches (Q46798591), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 38,899 bytes +418 ‎Created claim: cites work (P2860): Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches (Q46798591), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 38,481 bytes +1,147 ‎Added reference to claim: cites work (P2860): A new force field for molecular mechanical simulation of nucleic acids and proteins (Q107980616), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3412:34, 14 October 2022 AdrianoRutz talk contribs 37,334 bytes +421 ‎Created claim: cites work (P2860): A new force field for molecular mechanical simulation of nucleic acids and proteins (Q107980616), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 36,913 bytes +1,147 ‎Added reference to claim: cites work (P2860): Genetic and structural analysis of the protein stability problem (Q68532261), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 35,766 bytes +418 ‎Created claim: cites work (P2860): Genetic and structural analysis of the protein stability problem (Q68532261), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 35,348 bytes +1,147 ‎Added reference to claim: cites work (P2860): Hidden thermodynamics of mutant proteins: a molecular dynamics analysis (Q69621171), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 34,201 bytes +418 ‎Created claim: cites work (P2860): Hidden thermodynamics of mutant proteins: a molecular dynamics analysis (Q69621171), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 33,783 bytes +1,147 ‎Added reference to claim: cites work (P2860): Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation (Q68704277), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 32,636 bytes +418 ‎Created claim: cites work (P2860): Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation (Q68704277), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 32,218 bytes +1,147 ‎Added reference to claim: cites work (P2860): A scanning calorimetric study of the thermal denaturation of the lysozyme of phage T4 and the Arg 96----His mutant form thereof (Q45213964), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 31,071 bytes +418 ‎Created claim: cites work (P2860): A scanning calorimetric study of the thermal denaturation of the lysozyme of phage T4 and the Arg 96----His mutant form thereof (Q45213964), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 30,653 bytes +1,147 ‎Added reference to claim: cites work (P2860): Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase (Q35071402), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 29,506 bytes +418 ‎Created claim: cites work (P2860): Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase (Q35071402), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 29,088 bytes +1,147 ‎Added reference to claim: cites work (P2860): Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations (Q57000524), batch #101065 undo Tag: quickstatements [2.0] (restore)
• curprev 12:3312:33, 14 October 2022 AdrianoRutz talk contribs 27,941 bytes +436 ‎Created claim: cites work (P2860): Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations (Q57000524), batch #101065 undo Tag: quickstatements [2.0] (restore)

17 June 2019

• curprev 18:3518:35, 17 June 2019 Cavernia talk contribs 27,505 bytes −1,941 ‎Removed claim: author name string (P2093): Karplus M, #quickstatements; #temporary_batch_1560766499986 undo Tag: QuickStatements [1.5] (restore)
• curprev 18:3518:35, 17 June 2019 Cavernia talk contribs 29,446 bytes +1,071 ‎Added reference to claim: author (P50): Martin Karplus (Q903471), #quickstatements; #temporary_batch_1560766499986 undo Tag: QuickStatements [1.5] (restore)
• curprev 18:3518:35, 17 June 2019 Cavernia talk contribs 28,375 bytes +231 ‎Added qualifier: object named as (P1932): Karplus M, #quickstatements; #temporary_batch_1560766499986 undo Tag: QuickStatements [1.5] (restore)
• curprev 18:3518:35, 17 June 2019 Cavernia talk contribs 28,144 bytes +277 ‎Added qualifier: series ordinal (P1545): 3, #quickstatements; #temporary_batch_1560766499986 undo Tag: QuickStatements [1.5] (restore)
• curprev 18:3518:35, 17 June 2019 Cavernia talk contribs 27,867 bytes +412 ‎Created claim: author (P50): Martin Karplus (Q903471), #quickstatements; #temporary_batch_1560766499986 undo Tag: QuickStatements [1.5] (restore)

30 May 2019

• curprev 11:4911:49, 30 May 2019 Renamerr talk contribs 27,455 bytes +49 ‎Changed Ukrainian description: наукова стаття, опублікована у вересні 1994, #quickstatements; batch #13272 by User:Renamerr undo Tag: QuickStatements [1.3] (restore)

24 April 2019

• curprev 18:2618:26, 24 April 2019 Simon Villeneuve talk contribs 27,406 bytes +426 ‎Created claim: language of work or name (P407): English (Q1860), #petscan undo Tag: Widar [1.4] (restore)

13 October 2018

• curprev 15:3815:38, 13 October 2018 Edoderoobot talk contribs 26,980 bytes +154 ‎Updated Item: nl-description, python code, logfile on https://goo .gl/BezTim undo (restore)

30 April 2018

• curprev 08:2208:22, 30 April 2018 Mr.Ibrahembot talk contribs 26,826 bytes +4,899 ‎Updated Item: Bot: - Add descriptions:(58 langs). undo (restore)
• curprev 05:1505:15, 30 April 2018 Research Bot talk contribs 21,927 bytes +21,927 ‎Created a new Item Tag: fatameh [1.0] (restore)