These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
136 related articles for article (PubMed ID: 26575757)
1. The Application of Ligand-Mapping Molecular Dynamics Simulations to the Rational Design of Peptidic Modulators of Protein-Protein Interactions. Tan YS; Spring DR; Abell C; Verma CS J Chem Theory Comput; 2015 Jul; 11(7):3199-210. PubMed ID: 26575757 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments. Freed AS; Garde S; Cramer SM J Phys Chem B; 2011 Nov; 115(45):13320-7. PubMed ID: 21942536 [TBL] [Abstract][Full Text] [Related]
4. Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions. Arcon JP; Defelipe LA; Modenutti CP; López ED; Alvarez-Garcia D; Barril X; Turjanski AG; Martí MA J Chem Inf Model; 2017 Apr; 57(4):846-863. PubMed ID: 28318252 [TBL] [Abstract][Full Text] [Related]
9. Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. Tan YS; Reeks J; Brown CJ; Thean D; Ferrer Gago FJ; Yuen TY; Goh ET; Lee XE; Jennings CE; Joseph TL; Lakshminarayanan R; Lane DP; Noble ME; Verma CS J Phys Chem Lett; 2016 Sep; 7(17):3452-7. PubMed ID: 27532490 [TBL] [Abstract][Full Text] [Related]
10. A molecular dynamics approach to study the importance of solvent in protein interactions. Samsonov S; Teyra J; Pisabarro MT Proteins; 2008 Nov; 73(2):515-25. PubMed ID: 18452208 [TBL] [Abstract][Full Text] [Related]
11. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials. Hassan SA; Mehler EL; Zhang D; Weinstein H Proteins; 2003 Apr; 51(1):109-25. PubMed ID: 12596268 [TBL] [Abstract][Full Text] [Related]
12. Parameter choice matters: validating probe parameters for use in mixed-solvent simulations. Lexa KW; Goh GB; Carlson HA J Chem Inf Model; 2014 Aug; 54(8):2190-9. PubMed ID: 25058662 [TBL] [Abstract][Full Text] [Related]
17. Exploring the structural origins of cryptic sites on proteins. Beglov D; Hall DR; Wakefield AE; Luo L; Allen KN; Kozakov D; Whitty A; Vajda S Proc Natl Acad Sci U S A; 2018 Apr; 115(15):E3416-E3425. PubMed ID: 29581267 [TBL] [Abstract][Full Text] [Related]
18. Application of a spherical harmonics expansion approach for calculating ligand density distributions around proteins. Parimal S; Cramer SM; Garde S J Phys Chem B; 2014 Nov; 118(46):13066-76. PubMed ID: 25198149 [TBL] [Abstract][Full Text] [Related]
19. Dewetting-controlled binding of ligands to hydrophobic pockets. Setny P; Wang Z; Cheng LT; Li B; McCammon JA; Dzubiella J Phys Rev Lett; 2009 Oct; 103(18):187801. PubMed ID: 19905832 [TBL] [Abstract][Full Text] [Related]
20. The universality of β-hairpin misfolding indicated by molecular dynamics simulations. Shao Q; Wang J; Shi J; Zhu W J Chem Phys; 2013 Oct; 139(16):165103. PubMed ID: 24182084 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]