242 related articles for article (PubMed ID: 36216900)
21. FINDSITE
Zhou H; Cao H; Skolnick J
J Chem Inf Model; 2018 Nov; 58(11):2343-2354. PubMed ID: 30278128
[TBL] [Abstract][Full Text] [Related]
22. Repurposing Drugs for Inhibition against ALDH2 via a 2D/3D Ligand-Based Similarity Search and Molecular Simulation.
Jiang W; Chen J; Zhang P; Zheng N; Ma L; Zhang Y; Zhang H
Molecules; 2023 Oct; 28(21):. PubMed ID: 37959744
[TBL] [Abstract][Full Text] [Related]
23. fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Wang Z; Pan H; Sun H; Kang Y; Liu H; Cao D; Hou T
Brief Bioinform; 2022 Sep; 23(5):. PubMed ID: 35580866
[TBL] [Abstract][Full Text] [Related]
24. Structure-Based Virtual Screening.
Li Q; Shah S
Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
[TBL] [Abstract][Full Text] [Related]
25. A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina.
Tanchuk VY; Tanin VO; Vovk AI; Poda G
Curr Drug Discov Technol; 2015; 12(3):170-8. PubMed ID: 26302746
[TBL] [Abstract][Full Text] [Related]
26. CB-Dock2: improved protein-ligand blind docking by integrating cavity detection, docking and homologous template fitting.
Liu Y; Yang X; Gan J; Chen S; Xiao ZX; Cao Y
Nucleic Acids Res; 2022 Jul; 50(W1):W159-W164. PubMed ID: 35609983
[TBL] [Abstract][Full Text] [Related]
27. 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]
28. Docking-based virtual screening of known drugs against murE of Mycobacterium tuberculosis towards repurposing for TB.
Brindha S; Sundaramurthi JC; Velmurugan D; Vincent S; Gnanadoss JJ
Bioinformation; 2016; 12(8):359-367. PubMed ID: 28275291
[TBL] [Abstract][Full Text] [Related]
29. DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock Vina.
Macari G; Toti D; Pasquadibisceglie A; Polticelli F
Int J Mol Sci; 2020 Dec; 21(24):. PubMed ID: 33333976
[TBL] [Abstract][Full Text] [Related]
30. iScreen: world's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan.
Tsai TY; Chang KW; Chen CY
J Comput Aided Mol Des; 2011 Jun; 25(6):525-31. PubMed ID: 21647737
[TBL] [Abstract][Full Text] [Related]
31. Comparative Assessment of Pose Prediction Accuracy in RNA-Ligand Docking.
Agarwal R; T RR; Smith JC
J Chem Inf Model; 2023 Dec; 63(23):7444-7452. PubMed ID: 37972310
[TBL] [Abstract][Full Text] [Related]
32. Molecular Docking and Virtual Screening Based Prediction of Drugs for COVID-19.
Talluri S
Comb Chem High Throughput Screen; 2021; 24(5):716-728. PubMed ID: 32798373
[TBL] [Abstract][Full Text] [Related]
33. Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units.
Ding J; Tang S; Mei Z; Wang L; Huang Q; Hu H; Ling M; Wu J
J Chem Inf Model; 2023 Apr; 63(7):1982-1998. PubMed ID: 36941232
[TBL] [Abstract][Full Text] [Related]
34. Drug ReposER: a web server for predicting similar amino acid arrangements to known drug binding interfaces for potential drug repositioning.
Ab Ghani NS; Ramlan EI; Firdaus-Raih M
Nucleic Acids Res; 2019 Jul; 47(W1):W350-W356. PubMed ID: 31106379
[TBL] [Abstract][Full Text] [Related]
35. DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening.
Zhang H; Zhang T; Saravanan KM; Liao L; Wu H; Zhang H; Zhang H; Pan Y; Wu X; Wei Y
Methods; 2022 Sep; 205():247-262. PubMed ID: 35878751
[TBL] [Abstract][Full Text] [Related]
36. Identification of FDA approved drugs against SARS-CoV-2 RNA dependent RNA polymerase (RdRp) and 3-chymotrypsin-like protease (3CLpro), drug repurposing approach.
Molavi Z; Razi S; Mirmotalebisohi SA; Adibi A; Sameni M; Karami F; Niazi V; Niknam Z; Aliashrafi M; Taheri M; Ghafouri-Fard S; Jeibouei S; Mahdian S; Zali H; Ranjbar MM; Yazdani M
Biomed Pharmacother; 2021 Jun; 138():111544. PubMed ID: 34311539
[TBL] [Abstract][Full Text] [Related]
37. FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
Zhou H; Cao H; Skolnick J
J Chem Inf Model; 2021 Apr; 61(4):2074-2089. PubMed ID: 33724022
[TBL] [Abstract][Full Text] [Related]
38. Molecular property diagnostic suite for diabetes mellitus (MPDS
Gaur AS; Nagamani S; Tanneeru K; Druzhilovskiy D; Rudik A; Poroikov V; Narahari Sastry G
J Biomed Inform; 2018 Sep; 85():114-125. PubMed ID: 30092360
[TBL] [Abstract][Full Text] [Related]
39. 1001 Ways to run AutoDock Vina for virtual screening.
Jaghoori MM; Bleijlevens B; Olabarriaga SD
J Comput Aided Mol Des; 2016 Mar; 30(3):237-49. PubMed ID: 26897747
[TBL] [Abstract][Full Text] [Related]
40. Dockey: a modern integrated tool for large-scale molecular docking and virtual screening.
Du L; Geng C; Zeng Q; Huang T; Tang J; Chu Y; Zhao K
Brief Bioinform; 2023 Mar; 24(2):. PubMed ID: 36764832
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]