183 related articles for article (PubMed ID: 30834240)
1. Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery-Construction of a Diversity-Optimized Halogen-Enriched Fragment Library.
Heidrich J; Sperl LE; Boeckler FM
Front Chem; 2019; 7():9. PubMed ID: 30834240
[TBL] [Abstract][Full Text] [Related]
2. Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
Dammann M; Stahlecker J; Zimmermann MO; Klett T; Rotzinger K; Kramer M; Coles M; Stehle T; Boeckler FM
J Med Chem; 2022 Nov; 65(21):14539-14552. PubMed ID: 36288453
[TBL] [Abstract][Full Text] [Related]
3. Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery.
Heidrich J; Exner TE; Boeckler FM
J Chem Inf Model; 2019 Feb; 59(2):636-643. PubMed ID: 30582814
[TBL] [Abstract][Full Text] [Related]
4. Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.
Zimmermann MO; Lange A; Wilcken R; Cieslik MB; Exner TE; Joerger AC; Koch P; Boeckler FM
Future Med Chem; 2014 Apr; 6(6):617-39. PubMed ID: 24895892
[TBL] [Abstract][Full Text] [Related]
5. Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1).
Dammann M; Kramer M; Zimmermann MO; Boeckler FM
Front Chem; 2021; 9():815567. PubMed ID: 35186897
[TBL] [Abstract][Full Text] [Related]
6. Halogen-enriched fragment libraries as leads for drug rescue of mutant p53.
Wilcken R; Liu X; Zimmermann MO; Rutherford TJ; Fersht AR; Joerger AC; Boeckler FM
J Am Chem Soc; 2012 Apr; 134(15):6810-8. PubMed ID: 22439615
[TBL] [Abstract][Full Text] [Related]
7. Scaffold Effects on Halogen Bonding Strength.
Lange A; Heidrich J; Zimmermann MO; Exner TE; Boeckler FM
J Chem Inf Model; 2019 Feb; 59(2):885-894. PubMed ID: 30629432
[TBL] [Abstract][Full Text] [Related]
8. The relative roles of electrostatics and dispersion in the stabilization of halogen bonds.
Riley KE; Hobza P
Phys Chem Chem Phys; 2013 Nov; 15(41):17742-51. PubMed ID: 24067893
[TBL] [Abstract][Full Text] [Related]
9. Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.
Stahlecker J; Klett T; Schwer M; Jaag S; Dammann M; Ernst LN; Braun MB; Zimmermann MO; Kramer M; Lämmerhofer M; Stehle T; Coles M; Boeckler FM
RSC Med Chem; 2022 Dec; 13(12):1575-1586. PubMed ID: 36561072
[TBL] [Abstract][Full Text] [Related]
10. Structural effects of halogen bonding in iodochalcones.
Hamilton V; Harris C; Hall CL; Potticary J; Cremeens ME; D'Ambruoso GD; Matsumoto M; Warren SD; Pridmore NE; Sparkes HA; Hall SR
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2021 Jun; 77(Pt 3):347-356. PubMed ID: 34096516
[TBL] [Abstract][Full Text] [Related]
11. Role of Charge Transfer in Halogen Bonding.
Inscoe B; Rathnayake H; Mo Y
J Phys Chem A; 2021 Apr; 125(14):2944-2953. PubMed ID: 33797922
[TBL] [Abstract][Full Text] [Related]
12. Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.
Riley KE; Murray JS; Fanfrlík J; Rezáč J; Solá RJ; Concha MC; Ramos FM; Politzer P
J Mol Model; 2013 Nov; 19(11):4651-9. PubMed ID: 22643966
[TBL] [Abstract][Full Text] [Related]
13. In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory.
Tao Y; Qiu Y; Zou W; Nanayakkara S; Yannacone S; Kraka E
Molecules; 2020 Mar; 25(7):. PubMed ID: 32235623
[TBL] [Abstract][Full Text] [Related]
14. Extended halogen bonding between fully fluorinated aromatic molecules.
Kawai S; Sadeghi A; Xu F; Peng L; Orita A; Otera J; Goedecker S; Meyer E
ACS Nano; 2015 Mar; 9(3):2574-83. PubMed ID: 25716456
[TBL] [Abstract][Full Text] [Related]
15. Advances in the design of a multipurpose fragment screening library.
Wilde F; Link A
Expert Opin Drug Discov; 2013 May; 8(5):597-606. PubMed ID: 23480068
[TBL] [Abstract][Full Text] [Related]
16. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
Foffi G; Pastore A; Piazza F; Temussi PA
Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
[TBL] [Abstract][Full Text] [Related]
17. How Size Matters: Diversity for Fragment Library Design.
Shi Y; von Itzstein M
Molecules; 2019 Aug; 24(15):. PubMed ID: 31387220
[TBL] [Abstract][Full Text] [Related]
18. Polysaccharide-based chiral stationary phases as halogen bond acceptors: A novel strategy for detection of stereoselective σ-hole bonds in solution.
Peluso P; Mamane V; Dallocchio R; Dessì A; Villano R; Sanna D; Aubert E; Pale P; Cossu S
J Sep Sci; 2018 Mar; 41(6):1247-1256. PubMed ID: 29239526
[TBL] [Abstract][Full Text] [Related]
19. Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.
Soteras Gutiérrez I; Lin FY; Vanommeslaeghe K; Lemkul JA; Armacost KA; Brooks CL; MacKerell AD
Bioorg Med Chem; 2016 Oct; 24(20):4812-4825. PubMed ID: 27353885
[TBL] [Abstract][Full Text] [Related]
20. Molecular mechanical perspective on halogen bonding.
Ibrahim MA
J Mol Model; 2012 Oct; 18(10):4625-38. PubMed ID: 22643975
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
