395 related articles for article (PubMed ID: 21214225)
21. Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.
Grudinin S; Kadukova M; Eisenbarth A; Marillet S; Cazals F
J Comput Aided Mol Des; 2016 Sep; 30(9):791-804. PubMed ID: 27718029
[TBL] [Abstract][Full Text] [Related]
22. Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction.
Masso M
BMC Struct Biol; 2013; 13 Suppl 1(Suppl 1):S1. PubMed ID: 24564918
[TBL] [Abstract][Full Text] [Related]
23. Multi-method global analysis of thermodynamics and kinetics in reconstitution of monellin.
Xue WF; Carey J; Linse S
Proteins; 2004 Nov; 57(3):586-95. PubMed ID: 15382228
[TBL] [Abstract][Full Text] [Related]
24. The contribution of DNA single-stranded order to the thermodynamics of duplex formation.
Vesnaver G; Breslauer KJ
Proc Natl Acad Sci U S A; 1991 May; 88(9):3569-73. PubMed ID: 2023903
[TBL] [Abstract][Full Text] [Related]
25. Thermodynamic and computational studies on the binding of p53-derived peptides and peptidomimetic inhibitors to HDM2.
Grässlin A; Amoreira C; Baldridge KK; Robinson JA
Chembiochem; 2009 May; 10(8):1360-8. PubMed ID: 19408261
[TBL] [Abstract][Full Text] [Related]
26. Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design.
Chodera JD; Mobley DL
Annu Rev Biophys; 2013; 42():121-42. PubMed ID: 23654303
[TBL] [Abstract][Full Text] [Related]
27. Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
Baum B; Muley L; Heine A; Smolinski M; Hangauer D; Klebe G
J Mol Biol; 2009 Aug; 391(3):552-64. PubMed ID: 19520086
[TBL] [Abstract][Full Text] [Related]
28. Isothermal Titration Calorimetry for Quantification of Protein-Carbohydrate Interactions.
Brown HA; Koropatkin NM
Methods Mol Biol; 2023; 2657():129-140. PubMed ID: 37149527
[TBL] [Abstract][Full Text] [Related]
29. Shift from Entropic Cu
North ML; Wilcox DE
J Am Chem Soc; 2019 Sep; 141(36):14329-14339. PubMed ID: 31433629
[TBL] [Abstract][Full Text] [Related]
30. PBSA_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding Affinity.
Liu X; Liu J; Zhu T; Zhang L; He X; Zhang JZ
J Chem Inf Model; 2016 May; 56(5):854-61. PubMed ID: 27088302
[TBL] [Abstract][Full Text] [Related]
31. Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments.
Linkuvienė V; Krainer G; Chen WY; Matulis D
Anal Biochem; 2016 Dec; 515():61-64. PubMed ID: 27717855
[TBL] [Abstract][Full Text] [Related]
32. Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Zubrienė A; Smirnovienė J; Smirnov A; Morkūnaitė V; Michailovienė V; Jachno J; Juozapaitienė V; Norvaišas P; Manakova E; Gražulis S; Matulis D
Biophys Chem; 2015 Oct; 205():51-65. PubMed ID: 26079542
[TBL] [Abstract][Full Text] [Related]
33. A thermodynamic approach to the affinity optimization of drug candidates.
Freire E
Chem Biol Drug Des; 2009 Nov; 74(5):468-72. PubMed ID: 19793186
[TBL] [Abstract][Full Text] [Related]
34. Direct measurement of protein binding energetics by isothermal titration calorimetry.
Leavitt S; Freire E
Curr Opin Struct Biol; 2001 Oct; 11(5):560-6. PubMed ID: 11785756
[TBL] [Abstract][Full Text] [Related]
35. Knowledge-based scoring functions in drug design: 2. Can the knowledge base be enriched?
Shen Q; Xiong B; Zheng M; Luo X; Luo C; Liu X; Du Y; Li J; Zhu W; Shen J; Jiang H
J Chem Inf Model; 2011 Feb; 51(2):386-97. PubMed ID: 21192670
[TBL] [Abstract][Full Text] [Related]
36. Thermodynamics of protein-ligand interactions: history, presence, and future aspects.
Perozzo R; Folkers G; Scapozza L
J Recept Signal Transduct Res; 2004 Feb; 24(1-2):1-52. PubMed ID: 15344878
[TBL] [Abstract][Full Text] [Related]
37. The roles of three Serratia marcescens chitinases in chitin conversion are reflected in different thermodynamic signatures of allosamidin binding.
Baban J; Fjeld S; Sakuda S; Eijsink VG; Sørlie M
J Phys Chem B; 2010 May; 114(18):6144-9. PubMed ID: 20397673
[TBL] [Abstract][Full Text] [Related]
38. Compensating enthalpic and entropic changes hinder binding affinity optimization.
Lafont V; Armstrong AA; Ohtaka H; Kiso Y; Mario Amzel L; Freire E
Chem Biol Drug Des; 2007 Jun; 69(6):413-22. PubMed ID: 17581235
[TBL] [Abstract][Full Text] [Related]
39. Interaction of pyridine nucleotide substrates with Escherichia coli dihydrodipicolinate reductase: thermodynamic and structural analysis of binary complexes.
Reddy SG; Scapin G; Blanchard JS
Biochemistry; 1996 Oct; 35(41):13294-302. PubMed ID: 8873595
[TBL] [Abstract][Full Text] [Related]
40. Thermodynamic characterization of the binding of tetrahydropterins to phenylalanine hydroxylase.
Pey AL; Thórólfsson M; Teigen K; Ugarte M; Martínez A
J Am Chem Soc; 2004 Oct; 126(42):13670-8. PubMed ID: 15493924
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
