376 related articles for article (PubMed ID: 27916639)
21. Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.
Keserű GM; Erlanson DA; Ferenczy GG; Hann MM; Murray CW; Pickett SD
J Med Chem; 2016 Sep; 59(18):8189-206. PubMed ID: 27124799
[TBL] [Abstract][Full Text] [Related]
22. Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.
Martinez-Rosell G; Harvey MJ; De Fabritiis G
J Chem Inf Model; 2018 Mar; 58(3):683-691. PubMed ID: 29481075
[TBL] [Abstract][Full Text] [Related]
23. A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations.
Abel R; Wang L; Mobley DL; Friesner RA
Curr Top Med Chem; 2017; 17(23):2577-2585. PubMed ID: 28413950
[TBL] [Abstract][Full Text] [Related]
24. Two 'Golden Ratio' indices in fragment-based drug discovery.
Orita M; Ohno K; Niimi T
Drug Discov Today; 2009 Mar; 14(5-6):321-8. PubMed ID: 19028598
[TBL] [Abstract][Full Text] [Related]
25. Protein binding site analysis for drug discovery using a computational fragment-based method.
Ludington JL
Methods Mol Biol; 2015; 1289():145-54. PubMed ID: 25709039
[TBL] [Abstract][Full Text] [Related]
26. Efficiency of hit generation and structural characterization in fragment-based ligand discovery.
Larsson A; Jansson A; Åberg A; Nordlund P
Curr Opin Chem Biol; 2011 Aug; 15(4):482-8. PubMed ID: 21724447
[TBL] [Abstract][Full Text] [Related]
27. Molecular fields in ligand discovery.
Gane PJ; Chan AW
Methods Mol Biol; 2013; 1008():479-99. PubMed ID: 23729264
[TBL] [Abstract][Full Text] [Related]
28. Novel strategy for three-dimensional fragment-based lead discovery.
Yuan H; Lu T; Ran T; Liu H; Lu S; Tai W; Leng Y; Zhang W; Wang J; Chen Y
J Chem Inf Model; 2011 Apr; 51(4):959-74. PubMed ID: 21438547
[TBL] [Abstract][Full Text] [Related]
29. From fragment screening to potent binders: strategies for fragment-to-lead evolution.
Eitner K; Koch U
Mini Rev Med Chem; 2009 Jul; 9(8):956-61. PubMed ID: 19601891
[TBL] [Abstract][Full Text] [Related]
30. Fragment-based drug design: computational & experimental state of the art.
Hoffer L; Renaud JP; Horvath D
Comb Chem High Throughput Screen; 2011 Jul; 14(6):500-20. PubMed ID: 21521152
[TBL] [Abstract][Full Text] [Related]
31. 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]
32. Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.
Deganutti G; Moro S
Future Med Chem; 2017 Apr; 9(5):507-523. PubMed ID: 28362130
[TBL] [Abstract][Full Text] [Related]
33. The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery.
Bradley AR; Echalier A; Fairhead M; Strain-Damerell C; Brennan P; Bullock AN; Burgess-Brown NA; Carpenter EP; Gileadi O; Marsden BD; Lee WH; Yue W; Bountra C; von Delft F
Essays Biochem; 2017 Nov; 61(5):495-503. PubMed ID: 29118096
[TBL] [Abstract][Full Text] [Related]
34. Fragment growing induces conformational changes in acetylcholine-binding protein: a structural and thermodynamic analysis.
Edink E; Rucktooa P; Retra K; Akdemir A; Nahar T; Zuiderveld O; van Elk R; Janssen E; van Nierop P; van Muijlwijk-Koezen J; Smit AB; Sixma TK; Leurs R; de Esch IJ
J Am Chem Soc; 2011 Apr; 133(14):5363-71. PubMed ID: 21322593
[TBL] [Abstract][Full Text] [Related]
35. Biophysical screening for the discovery of small-molecule ligands.
Ciulli A
Methods Mol Biol; 2013; 1008():357-88. PubMed ID: 23729259
[TBL] [Abstract][Full Text] [Related]
36. NMR in structure-based drug design.
Carneiro MG; Ab E; Theisgen S; Siegal G
Essays Biochem; 2017 Nov; 61(5):485-493. PubMed ID: 29118095
[TBL] [Abstract][Full Text] [Related]
37. Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation.
Loving K; Salam NK; Sherman W
J Comput Aided Mol Des; 2009 Aug; 23(8):541-54. PubMed ID: 19421721
[TBL] [Abstract][Full Text] [Related]
38. Ligand efficiency and fragment-based drug discovery.
Bembenek SD; Tounge BA; Reynolds CH
Drug Discov Today; 2009 Mar; 14(5-6):278-83. PubMed ID: 19073276
[TBL] [Abstract][Full Text] [Related]
39. Fragment-based drug discovery using rational design.
Jhoti H
Ernst Schering Found Symp Proc; 2007; (3):169-85. PubMed ID: 18510103
[TBL] [Abstract][Full Text] [Related]
40. Fragments and hot spots in drug discovery.
Vajda S; Whitty A; Kozakov D
Oncotarget; 2015 Aug; 6(22):18740-1. PubMed ID: 26300051
[No Abstract] [Full Text] [Related]
[Previous] [Next] [New Search]