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Items: 1 to 20 of 101

1.

An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications.

Aminpour M, Montemagno C, Tuszynski JA.

Molecules. 2019 Apr 30;24(9). pii: E1693. doi: 10.3390/molecules24091693. Review.

2.

Computer-aided drug discovery.

Bajorath J.

F1000Res. 2015 Aug 26;4. pii: F1000 Faculty Rev-630. doi: 10.12688/f1000research.6653.1. eCollection 2015. Review.

3.

Computer-Aided Drug Design in Epigenetics.

Lu W, Zhang R, Jiang H, Zhang H, Luo C.

Front Chem. 2018 Mar 12;6:57. doi: 10.3389/fchem.2018.00057. eCollection 2018. Review.

4.

The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery.

Lu X, Yang H, Chen Y, Li Q, He SY, Jiang X, Feng F, Qu W, Sun H.

Curr Pharm Des. 2018;24(29):3424-3439. doi: 10.2174/1381612824666180810162944.

PMID:
30101699
5.

In silico drug discovery approaches on grid computing infrastructures.

Wolf A, Shahid M, Kasam V, Ziegler W, Hofmann-Apitius M.

Curr Clin Pharmacol. 2010 Feb;5(1):37-46. Review.

PMID:
19642967
6.

Current developments in and importance of high-performance computing in drug discovery.

Pitera JW.

Curr Opin Drug Discov Devel. 2009 May;12(3):388-96. Review.

PMID:
19396740
7.

Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.

Heinz H, Ramezani-Dakhel H.

Chem Soc Rev. 2016 Jan 21;45(2):412-48. doi: 10.1039/c5cs00890e. Epub 2016 Jan 11. Review.

PMID:
26750724
8.

Enhancement of Plant Productivity in the Post-Genomics Era.

Thao NP, Tran LS.

Curr Genomics. 2016 Aug;17(4):295-6. doi: 10.2174/138920291704160607182507.

9.

Computational methods in drug discovery.

Sliwoski G, Kothiwale S, Meiler J, Lowe EW Jr.

Pharmacol Rev. 2013 Dec 31;66(1):334-95. doi: 10.1124/pr.112.007336. Print 2014. Review.

10.

Multiscale Modeling in the Clinic: Drug Design and Development.

Clancy CE, An G, Cannon WR, Liu Y, May EE, Ortoleva P, Popel AS, Sluka JP, Su J, Vicini P, Zhou X, Eckmann DM.

Ann Biomed Eng. 2016 Sep;44(9):2591-610. doi: 10.1007/s10439-016-1563-0. Epub 2016 Feb 17. Review.

11.

Modeling Transport Through Synthetic Nanopores.

Aksimentiev A, Brunner RK, Cruz-ChĂș E, Comer J, Schulten K.

IEEE Nanotechnol Mag. 2009 Mar;3(1):20-28.

12.

Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift.

Usha T, Shanmugarajan D, Goyal AK, Kumar CS, Middha SK.

Curr Top Med Chem. 2017;17(30):3296-3307. doi: 10.2174/1568026618666180101163651. Review.

PMID:
29295698
13.
14.

Quantitative structure-activity relationship: promising advances in drug discovery platforms.

Wang T, Wu MB, Lin JP, Yang LR.

Expert Opin Drug Discov. 2015 Dec;10(12):1283-300. doi: 10.1517/17460441.2015.1083006. Epub 2015 Sep 11. Review.

PMID:
26358617
15.

Modeling and simulation of protein-surface interactions: achievements and challenges.

Ozboyaci M, Kokh DB, Corni S, Wade RC.

Q Rev Biophys. 2016;49:e4. doi: 10.1017/S0033583515000256. Review.

PMID:
26821792
16.

Metal-organic frameworks: a rapidly growing class of versatile nanoporous materials.

Meek ST, Greathouse JA, Allendorf MD.

Adv Mater. 2011 Jan 11;23(2):249-67. doi: 10.1002/adma.201002854. Review.

PMID:
20972981
17.

Recent advances in computer-aided drug design as applied to anti-influenza drug discovery.

Mallipeddi PL, Kumar G, White SW, Webb TR.

Curr Top Med Chem. 2014;14(16):1875-89. Review.

PMID:
25262796
18.

Computational modeling in melanoma for novel drug discovery.

Pennisi M, Russo G, Di Salvatore V, Candido S, Libra M, Pappalardo F.

Expert Opin Drug Discov. 2016 Jun;11(6):609-21. doi: 10.1080/17460441.2016.1174688. Epub 2016 Apr 21. Review.

PMID:
27046143
19.

Computational Approaches for the Discovery of Human Proteasome Inhibitors: An Overview.

Guedes RA, Serra P, Salvador JA, Guedes RC.

Molecules. 2016 Jul 16;21(7). pii: E927. doi: 10.3390/molecules21070927. Review.

20.

Label-free screening of single biomolecules through resistive pulse sensing technology for precision medicine applications.

Harrer S, Kim SC, Schieber C, Kannam S, Gunn N, Moore S, Scott D, Bathgate R, Skafidas S, Wagner JM.

Nanotechnology. 2015 May 8;26(18):182502. doi: 10.1088/0957-4484/26/18/182502. Epub 2015 Apr 15.

PMID:
25875197

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