336 related articles for article (PubMed ID: 28276703)
1. A look at ligand binding thermodynamics in drug discovery.
Claveria-Gimeno R; Vega S; Abian O; Velazquez-Campoy A
Expert Opin Drug Discov; 2017 Apr; 12(4):363-377. PubMed ID: 28276703
[TBL] [Abstract][Full Text] [Related]
2. Ligand Binding Thermodynamics in Drug Discovery: Still a Hot Tip?
Geschwindner S; Ulander J; Johansson P
J Med Chem; 2015 Aug; 58(16):6321-35. PubMed ID: 25915439
[TBL] [Abstract][Full Text] [Related]
3. Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety.
Meanwell NA
Chem Res Toxicol; 2011 Sep; 24(9):1420-56. PubMed ID: 21790149
[TBL] [Abstract][Full Text] [Related]
4. Intrinsic Thermodynamics of Protein-Ligand Binding by Isothermal Titration Calorimetry as Aid to Drug Design.
Paketurytė V; Zubrienė A; Ladbury JE; Matulis D
Methods Mol Biol; 2019; 1964():61-74. PubMed ID: 30929235
[TBL] [Abstract][Full Text] [Related]
5. Isothermal titration calorimetry for studying protein-ligand interactions.
Damian L
Methods Mol Biol; 2013; 1008():103-18. PubMed ID: 23729250
[TBL] [Abstract][Full Text] [Related]
6. Thermodynamic profiling for fragment-based lead discovery and optimization.
Ferenczy GG; Keserű GM
Expert Opin Drug Discov; 2020 Jan; 15(1):117-129. PubMed ID: 31741402
[No Abstract] [Full Text] [Related]
7. The use of thermodynamic and kinetic data in drug discovery: decisive insight or increasing the puzzlement?
Klebe G
ChemMedChem; 2015 Feb; 10(2):229-31. PubMed ID: 25537429
[TBL] [Abstract][Full Text] [Related]
8. PDBcal: a comprehensive dataset for receptor-ligand interactions with three-dimensional structures and binding thermodynamics from isothermal titration calorimetry.
Li L; Dantzer JJ; Nowacki J; O'Callaghan BJ; Meroueh SO
Chem Biol Drug Des; 2008 Jun; 71(6):529-32. PubMed ID: 18482338
[TBL] [Abstract][Full Text] [Related]
9. Impact of protein and ligand impurities on ITC-derived protein-ligand thermodynamics.
Grüner S; Neeb M; Barandun LJ; Sielaff F; Hohn C; Kojima S; Steinmetzer T; Diederich F; Klebe G
Biochim Biophys Acta; 2014 Sep; 1840(9):2843-50. PubMed ID: 24792574
[TBL] [Abstract][Full Text] [Related]
10. Calculating Water Thermodynamics in the Binding Site of Proteins - Applications of WaterMap to Drug Discovery.
Cappel D; Sherman W; Beuming T
Curr Top Med Chem; 2017; 17(23):2586-2598. PubMed ID: 28413953
[TBL] [Abstract][Full Text] [Related]
11. Thermodynamics guided lead discovery and optimization.
Ferenczy GG; Keserũ GM
Drug Discov Today; 2010 Nov; 15(21-22):919-32. PubMed ID: 20801227
[TBL] [Abstract][Full Text] [Related]
12. [Rational fragment-design method based on a thermodynamic analysis].
Tsumoto K; Ui M
Yakugaku Zasshi; 2009 Nov; 129(11):1311-7. PubMed ID: 19881202
[TBL] [Abstract][Full Text] [Related]
13. Computation of binding energies including their enthalpy and entropy components for protein-ligand complexes using support vector machines.
Koppisetty CA; Frank M; Kemp GJ; Nyholm PG
J Chem Inf Model; 2013 Oct; 53(10):2559-70. PubMed ID: 24050538
[TBL] [Abstract][Full Text] [Related]
14. An approach to rational ligand-design based on a thermodynamic analysis.
Ui M; Tsumoto K
Recent Pat Biotechnol; 2010 Nov; 4(3):183-8. PubMed ID: 21171955
[TBL] [Abstract][Full Text] [Related]
15. The role of NMR in leveraging dynamics and entropy in drug design.
Dubey A; Takeuchi K; Reibarkh M; Arthanari H
J Biomol NMR; 2020 Nov; 74(10-11):479-498. PubMed ID: 32720098
[TBL] [Abstract][Full Text] [Related]
16. Advancing GIST-Based Solvent Functionals through Multiobjective Optimization of Solvent Enthalpy and Entropy Scoring Terms.
Hüfner-Wulsdorf T; Klebe G
J Chem Inf Model; 2020 Dec; 60(12):6654-6665. PubMed ID: 33264016
[TBL] [Abstract][Full Text] [Related]
17. The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Meyners C; Krämer A; Yildiz Ö; Meyer-Almes FJ
Biochim Biophys Acta Gen Subj; 2017 Jul; 1861(7):1855-1863. PubMed ID: 28389333
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Adding calorimetric data to decision making in lead discovery: a hot tip.
Ladbury JE; Klebe G; Freire E
Nat Rev Drug Discov; 2010 Jan; 9(1):23-7. PubMed ID: 19960014
[TBL] [Abstract][Full Text] [Related]
20. Designing ligands to bind proteins.
Whitesides GM; Krishnamurthy VM
Q Rev Biophys; 2005 Nov; 38(4):385-95. PubMed ID: 16817982
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]