147 related articles for article (PubMed ID: 32101126)
21. Prediction of protein-protein interaction sites from weakly homologous template structures using meta-threading and machine learning.
Maheshwari S; Brylinski M
J Mol Recognit; 2015 Jan; 28(1):35-48. PubMed ID: 26268369
[TBL] [Abstract][Full Text] [Related]
22. Binding Affinity via Docking: Fact and Fiction.
Pantsar T; Poso A
Molecules; 2018 Jul; 23(8):. PubMed ID: 30061498
[TBL] [Abstract][Full Text] [Related]
23. Computational Study and Modified Design of Selective Dopamine D3 Receptor Agonists.
Duan X; Zhang X; Xu B; Wang F; Lei M
Chem Biol Drug Des; 2016 Jul; 88(1):142-54. PubMed ID: 26851125
[TBL] [Abstract][Full Text] [Related]
24. Computational drug design targeting protein-protein interactions.
Bienstock RJ
Curr Pharm Des; 2012; 18(9):1240-54. PubMed ID: 22316151
[TBL] [Abstract][Full Text] [Related]
25. Design and structure of peptide and peptidomimetic antagonists of protein-protein interaction.
Sillerud LO; Larson RS
Curr Protein Pept Sci; 2005 Apr; 6(2):151-69. PubMed ID: 15853652
[TBL] [Abstract][Full Text] [Related]
26. Boosted neural networks scoring functions for accurate ligand docking and ranking.
Ashtawy HM; Mahapatra NR
J Bioinform Comput Biol; 2018 Apr; 16(2):1850004. PubMed ID: 29495922
[TBL] [Abstract][Full Text] [Related]
27. Hot-spot analysis for drug discovery targeting protein-protein interactions.
Rosell M; Fernández-Recio J
Expert Opin Drug Discov; 2018 Apr; 13(4):327-338. PubMed ID: 29376444
[TBL] [Abstract][Full Text] [Related]
28. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
Mishra V; Pathak C
J Biomol Struct Dyn; 2019 May; 37(8):1968-1991. PubMed ID: 29842849
[TBL] [Abstract][Full Text] [Related]
29. Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design.
Sotriffer C; Klebe G
Farmaco; 2002 Mar; 57(3):243-51. PubMed ID: 11989803
[TBL] [Abstract][Full Text] [Related]
30. Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.
Athanasiou C; Vasilakaki S; Dellis D; Cournia Z
J Comput Aided Mol Des; 2018 Jan; 32(1):21-44. PubMed ID: 29119352
[TBL] [Abstract][Full Text] [Related]
31. Inhibition of protein interactions: co-crystalized protein-protein interfaces are nearly as good as holo proteins in rigid-body ligand docking.
Belkin S; Kundrotas PJ; Vakser IA
J Comput Aided Mol Des; 2018 Jul; 32(7):769-779. PubMed ID: 30003468
[TBL] [Abstract][Full Text] [Related]
32. The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.
Luo Q; Zhao L; Hu J; Jin H; Liu Z; Zhang L
PLoS One; 2017; 12(2):e0171433. PubMed ID: 28196116
[TBL] [Abstract][Full Text] [Related]
33. Modern drug design: the implication of using artificial neuronal networks and multiple molecular dynamic simulations.
Yakovenko O; Jones SJM
J Comput Aided Mol Des; 2018 Jan; 32(1):299-311. PubMed ID: 29134430
[TBL] [Abstract][Full Text] [Related]
34. Protein-ligand-based pharmacophores: generation and utility assessment in computational ligand profiling.
Meslamani J; Li J; Sutter J; Stevens A; Bertrand HO; Rognan D
J Chem Inf Model; 2012 Apr; 52(4):943-55. PubMed ID: 22480372
[TBL] [Abstract][Full Text] [Related]
35. Survey of Computational Approaches for Prediction of DNA-Binding Residues on Protein Surfaces.
Xiong Y; Zhu X; Dai H; Wei DQ
Methods Mol Biol; 2018; 1754():223-234. PubMed ID: 29536446
[TBL] [Abstract][Full Text] [Related]
36. Predicted binding site information improves model ranking in protein docking using experimental and computer-generated target structures.
Maheshwari S; Brylinski M
BMC Struct Biol; 2015 Nov; 15():23. PubMed ID: 26597230
[TBL] [Abstract][Full Text] [Related]
37. Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
Zavodszky MI; Sanschagrin PC; Korde RS; Kuhn LA
J Comput Aided Mol Des; 2002 Dec; 16(12):883-902. PubMed ID: 12825621
[TBL] [Abstract][Full Text] [Related]
38. Methods for Discovering and Targeting Druggable Protein-Protein Interfaces and Their Application to Repurposing.
Ozdemir ES; Halakou F; Nussinov R; Gursoy A; Keskin O
Methods Mol Biol; 2019; 1903():1-21. PubMed ID: 30547433
[TBL] [Abstract][Full Text] [Related]
39. In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study.
Gadhe CG; Balupuri A; Cho SJ
J Biomol Struct Dyn; 2015; 33(11):2491-510. PubMed ID: 25617117
[TBL] [Abstract][Full Text] [Related]
40. Addressing recent docking challenges: A hybrid strategy to integrate template-based and free protein-protein docking.
Yan Y; Wen Z; Wang X; Huang SY
Proteins; 2017 Mar; 85(3):497-512. PubMed ID: 28026062
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]