577 related articles for article (PubMed ID: 31650386)
1. Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.
Cleves AE; Johnson SR; Jain AN
J Comput Aided Mol Des; 2019 Oct; 33(10):865-886. PubMed ID: 31650386
[TBL] [Abstract][Full Text] [Related]
2. Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015.
Kumar A; Zhang KY
J Comput Aided Mol Des; 2016 Sep; 30(9):685-693. PubMed ID: 27484214
[TBL] [Abstract][Full Text] [Related]
3. A pose prediction approach based on ligand 3D shape similarity.
Kumar A; Zhang KY
J Comput Aided Mol Des; 2016 Jun; 30(6):457-69. PubMed ID: 27379501
[TBL] [Abstract][Full Text] [Related]
4. Surflex-Dock: Docking benchmarks and real-world application.
Spitzer R; Jain AN
J Comput Aided Mol Des; 2012 Jun; 26(6):687-99. PubMed ID: 22569590
[TBL] [Abstract][Full Text] [Related]
5. Structure- and Ligand-Based Virtual Screening on DUD-E
Cleves AE; Jain AN
J Chem Inf Model; 2020 Sep; 60(9):4296-4310. PubMed ID: 32271577
[TBL] [Abstract][Full Text] [Related]
6. Shape similarity guided pose prediction: lessons from D3R Grand Challenge 3.
Kumar A; Zhang KYJ
J Comput Aided Mol Des; 2019 Jan; 33(1):47-59. PubMed ID: 30084081
[TBL] [Abstract][Full Text] [Related]
7. LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
Hu J; Liu Z; Yu DJ; Zhang Y
Bioinformatics; 2018 Jul; 34(13):2209-2218. PubMed ID: 29462237
[TBL] [Abstract][Full Text] [Related]
8. Computation of 3D queries for ROCS based virtual screens.
Tawa GJ; Baber JC; Humblet C
J Comput Aided Mol Des; 2009 Dec; 23(12):853-68. PubMed ID: 19820902
[TBL] [Abstract][Full Text] [Related]
9. Exploring polypharmacology using a ROCS-based target fishing approach.
AbdulHameed MD; Chaudhury S; Singh N; Sun H; Wallqvist A; Tawa GJ
J Chem Inf Model; 2012 Feb; 52(2):492-505. PubMed ID: 22196353
[TBL] [Abstract][Full Text] [Related]
10. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
Wei NN; Hamza A
J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
[TBL] [Abstract][Full Text] [Related]
11. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
Cross JB; Thompson DC; Rai BK; Baber JC; Fan KY; Hu Y; Humblet C
J Chem Inf Model; 2009 Jun; 49(6):1455-74. PubMed ID: 19476350
[TBL] [Abstract][Full Text] [Related]
12. Application of Shape Similarity in Pose Selection and Virtual Screening in CSARdock2014 Exercise.
Kumar A; Zhang KY
J Chem Inf Model; 2016 Jun; 56(6):965-73. PubMed ID: 26247231
[TBL] [Abstract][Full Text] [Related]
13. Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
Ebejer JP; Finn PW; Wong WK; Deane CM; Morris GM
J Chem Inf Model; 2019 Jun; 59(6):2600-2616. PubMed ID: 31117509
[TBL] [Abstract][Full Text] [Related]
14. Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model.
Kumar A; Zhang KYJ
J Comput Aided Mol Des; 2019 Dec; 33(12):1045-1055. PubMed ID: 31463704
[TBL] [Abstract][Full Text] [Related]
15. PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.
Roy A; Srinivasan B; Skolnick J
J Chem Inf Model; 2015 Aug; 55(8):1757-70. PubMed ID: 26225536
[TBL] [Abstract][Full Text] [Related]
16. SimG: an alignment based method for evaluating the similarity of small molecules and binding sites.
Cai C; Gong J; Liu X; Gao D; Li H
J Chem Inf Model; 2013 Aug; 53(8):2103-15. PubMed ID: 23889471
[TBL] [Abstract][Full Text] [Related]
17. Ligand-based virtual screening under partial shape constraints.
von Behren MM; Rarey M
J Comput Aided Mol Des; 2017 Apr; 31(4):335-347. PubMed ID: 28315995
[TBL] [Abstract][Full Text] [Related]
18. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction.
Brylinski M
J Chem Inf Model; 2013 Nov; 53(11):3097-112. PubMed ID: 24171431
[TBL] [Abstract][Full Text] [Related]
19. Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses.
Jacquemard C; Tran-Nguyen VK; Drwal MN; Rognan D; Kellenberger E
Molecules; 2019 Jul; 24(14):. PubMed ID: 31323745
[TBL] [Abstract][Full Text] [Related]
20. A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening.
Jiang Z; Xu J; Yan A; Wang L
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 34151363
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]