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Results: 12

1.

Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities.

Gao C, Park MS, Stern HA.

Biophys J. 2010 Mar 3;98(5):901-10. doi: 10.1016/j.bpj.2009.11.018.

PMID:
20197044
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

Energetic and entropic factors determining binding affinity in protein-ligand complexes.

Klebe G, Böhm HJ.

J Recept Signal Transduct Res. 1997 Jan-May;17(1-3):459-73. Review.

PMID:
9029508
[PubMed - indexed for MEDLINE]
3.

Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods.

Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A.

Curr Med Chem. 2004 Dec;11(23):3093-118. Review.

PMID:
15579003
[PubMed - indexed for MEDLINE]
4.

Conformational dynamics and thermodynamics of protein-ligand binding studied by NMR relaxation.

Akke M.

Biochem Soc Trans. 2012 Apr;40(2):419-23. doi: 10.1042/BST20110750. Review.

PMID:
22435823
[PubMed - indexed for MEDLINE]
5.

Calculation of protein-ligand binding affinities.

Gilson MK, Zhou HX.

Annu Rev Biophys Biomol Struct. 2007;36:21-42. Review.

PMID:
17201676
[PubMed - indexed for MEDLINE]
6.

Physics-based methods for studying protein-ligand interactions.

Huang N, Jacobson MP.

Curr Opin Drug Discov Devel. 2007 May;10(3):325-31. Review.

PMID:
17554859
[PubMed - indexed for MEDLINE]
7.

Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design.

Chodera JD, Mobley DL.

Annu Rev Biophys. 2013;42:121-42. doi: 10.1146/annurev-biophys-083012-130318. Review.

PMID:
23654303
[PubMed - indexed for MEDLINE]
8.

Recent theoretical and computational advances for modeling protein-ligand binding affinities.

Gallicchio E, Levy RM.

Adv Protein Chem Struct Biol. 2011;85:27-80. doi: 10.1016/B978-0-12-386485-7.00002-8. Review.

PMID:
21920321
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Correlating structure and energetics in protein-ligand interactions: paradigms and paradoxes.

Martin SF, Clements JH.

Annu Rev Biochem. 2013;82:267-93. doi: 10.1146/annurev-biochem-060410-105819. Review.

PMID:
23746256
[PubMed - indexed for MEDLINE]
10.

Advances in all atom sampling methods for modeling protein-ligand binding affinities.

Gallicchio E, Levy RM.

Curr Opin Struct Biol. 2011 Apr;21(2):161-6. doi: 10.1016/j.sbi.2011.01.010. Epub 2011 Feb 19. Review.

PMID:
21339062
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

Molecular recognition and ligand association.

Baron R, McCammon JA.

Annu Rev Phys Chem. 2013;64:151-75. doi: 10.1146/annurev-physchem-040412-110047. Epub 2013 Mar 5. Review.

PMID:
23473376
[PubMed - indexed for MEDLINE]
12.

A statistical mechanics handbook for protein-ligand binding simulation.

Rocchia W, Bonella S.

Front Biosci (Schol Ed). 2013 Jan 1;5:478-95. Review.

PMID:
23277063
[PubMed - indexed for MEDLINE]

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