140 related articles for article (PubMed ID: 30525593)
21. Some measures for making halogen bonds stronger than hydrogen bonds in H2CS-HOX (X = F, Cl, and Br) complexes.
Li QZ; Jing B; Li R; Liu ZB; Li WZ; Luan F; Cheng JB; Gong BA; Sun JZ
Phys Chem Chem Phys; 2011 Feb; 13(6):2266-71. PubMed ID: 21125096
[TBL] [Abstract][Full Text] [Related]
22. Principles and applications of halogen bonding in medicinal chemistry and chemical biology.
Wilcken R; Zimmermann MO; Lange A; Joerger AC; Boeckler FM
J Med Chem; 2013 Feb; 56(4):1363-88. PubMed ID: 23145854
[TBL] [Abstract][Full Text] [Related]
23. Hotspot Identification on Protein Surfaces Using Probe-Based MD Simulations: Successes and Challenges.
Sayyed-Ahmad A
Curr Top Med Chem; 2018; 18(27):2278-2283. PubMed ID: 30499401
[TBL] [Abstract][Full Text] [Related]
24. Halogen bonding for rational drug design and new drug discovery.
Lu Y; Liu Y; Xu Z; Li H; Liu H; Zhu W
Expert Opin Drug Discov; 2012 May; 7(5):375-83. PubMed ID: 22462734
[TBL] [Abstract][Full Text] [Related]
25. Water's potential role: Insights from studies of the p53 core domain.
Xu X; Ma Z; Wang X; Xiao ZT; Li Y; Xue ZH; Wang YH
J Struct Biol; 2012 Feb; 177(2):358-66. PubMed ID: 22197648
[TBL] [Abstract][Full Text] [Related]
26. Conformation and NH stretching of 1,1-dihalogenoheptan-1-amines [CH₃(CH₂)₅CX₂NH₂; X=F, Cl or Br]: halogen and solvent effects.
Tursun M; Rhyman L; Parlak C; Ramasami P; Şenyel M
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():171-8. PubMed ID: 25556341
[TBL] [Abstract][Full Text] [Related]
27. A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.
Albertí M; Huarte-Larrañaga F; Aguilar A; Lucas JM; Pirani F
Phys Chem Chem Phys; 2011 May; 13(18):8251-8. PubMed ID: 21431123
[TBL] [Abstract][Full Text] [Related]
28. Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues.
Topham CM; Smith JC
Comput Biol Chem; 2015 Feb; 54():33-43. PubMed ID: 25544680
[TBL] [Abstract][Full Text] [Related]
29. Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design.
Lu Y; Wang Y; Zhu W
Phys Chem Chem Phys; 2010 May; 12(18):4543-51. PubMed ID: 20428531
[TBL] [Abstract][Full Text] [Related]
30. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy.
Kwac K; Lee C; Jung Y; Han J; Kwak K; Zheng J; Fayer MD; Cho M
J Chem Phys; 2006 Dec; 125(24):244508. PubMed ID: 17199356
[TBL] [Abstract][Full Text] [Related]
31. Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.
Lin FY; MacKerell AD
J Chem Theory Comput; 2018 Feb; 14(2):1083-1098. PubMed ID: 29357257
[TBL] [Abstract][Full Text] [Related]
32. PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations.
Martinez-Rosell G; Lovera S; Sands ZA; De Fabritiis G
J Chem Inf Model; 2020 Apr; 60(4):2314-2324. PubMed ID: 32175736
[TBL] [Abstract][Full Text] [Related]
33. Conformation stability, halogen and solvent effects on CO stretching of 4-chloro-3-halogenobenzaldehydes.
Tursun M; Parlak C
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Apr; 141():58-63. PubMed ID: 25659813
[TBL] [Abstract][Full Text] [Related]
34. Molecular dynamics simulations studies and free energy analysis on inhibitors of MDM2-p53 interaction.
Niu RJ; Zheng QC; Zhang JL; Zhang HX
J Mol Graph Model; 2013 Nov; 46():132-9. PubMed ID: 24211465
[TBL] [Abstract][Full Text] [Related]
35. Halogen bonding--a novel interaction for rational drug design?
Lu Y; Shi T; Wang Y; Yang H; Yan X; Luo X; Jiang H; Zhu W
J Med Chem; 2009 May; 52(9):2854-62. PubMed ID: 19358610
[TBL] [Abstract][Full Text] [Related]
36. Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water.
Yan XC; Tirado-Rives J; Jorgensen WL
J Phys Chem B; 2016 Aug; 120(33):8102-14. PubMed ID: 26901452
[TBL] [Abstract][Full Text] [Related]
37. Supramolecular polymerization of benzene-1,3,5-tricarboxamide: a molecular dynamics simulation study.
Bejagam KK; Fiorin G; Klein ML; Balasubramanian S
J Phys Chem B; 2014 May; 118(19):5218-28. PubMed ID: 24780060
[TBL] [Abstract][Full Text] [Related]
38. Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53.
Joerger AC; Bauer MR; Wilcken R; Baud MGJ; Harbrecht H; Exner TE; Boeckler FM; Spencer J; Fersht AR
Structure; 2015 Dec; 23(12):2246-2255. PubMed ID: 26636255
[TBL] [Abstract][Full Text] [Related]
39. C-X...H contacts in biomolecular systems: how they contribute to protein-ligand binding affinity.
Lu Y; Wang Y; Xu Z; Yan X; Luo X; Jiang H; Zhu W
J Phys Chem B; 2009 Sep; 113(37):12615-21. PubMed ID: 19708644
[TBL] [Abstract][Full Text] [Related]
40. 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]
[Previous] [Next] [New Search]
