Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score

Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ (2009) J Comput Chem 30(16):2785

Article  CAS  PubMed  PubMed Central  Google Scholar 

Trott O, Olson AJ (2010) J Comput Chem 31(2):455

CAS  PubMed  PubMed Central  Google Scholar 

van Zundert GCP, Rodrigues J, Trellet M, Schmitz C, Kastritis PL, Karaca E, Melquiond ASJ, van Dijk M, de Vries SJ, Bonvin A (2016) J Mol Biol 428(4):720

Article  PubMed  Google Scholar 

Ruiz-Carmona S, Alvarez-Garcia D, Foloppe N, Garmendia-Doval AB, Juhos S, Schmidtke P, Barril X, Hubbard RE, Morley SD (2014) PLoS Comput Biol 10(4):e1003571

Article  PubMed  PubMed Central  Google Scholar 

Grosdidier A, Zoete V, Michielin O (2011) Nucleic Acids Res 39 (Web Server issue):W270

Huang SY, Zou X (2010) Int J Mol Sci 11(8):3016

Article  CAS  PubMed  PubMed Central  Google Scholar 

Bohm HJ (1998) J Comput Aided Mol Des 12(4):309

Article  CAS  PubMed  Google Scholar 

Genheden S, Ryde U (2015) Expert Opin Drug Discov 10(5):449

Article  CAS  PubMed  PubMed Central  Google Scholar 

Cox B (2014) CHAPTER 1. Ion Channel Drug Discovery: a historical perspective. Royal Society of Chemistry, Ion Channel Drug Discovery, p 1

Google Scholar 

Shimada I, Ueda T, Kofuku Y, Eddy MT, Wuthrich K (2019) Nat Rev Drug Discov 18(1):59

Article  CAS  PubMed  Google Scholar 

Congreve M, de Graaf C, Swain NA, Tate CG (2020) Cell 181(1):81

Article  CAS  PubMed  Google Scholar 

Hauser AS, Attwood MM, Rask-Andersen M, Schioth HB, Gloriam DE (2017) Nat Rev Drug Discov 16(12):829

Article  CAS  PubMed  PubMed Central  Google Scholar 

Bald D, Villellas C, Lu P, Koul A (2017) mBio 8(2)

Hurwitz N, Schneidman-Duhovny D, Wolfson HJ (2016) Bioinformatics 32(16):2444

Article  CAS  PubMed  Google Scholar 

Ghose AK, Crippen GM (1987) J Chem Inf Comput Sci 27(1):21

Article  CAS  PubMed  Google Scholar 

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Adv Drug Deliv Rev 23(1–3):3

Article  CAS  Google Scholar 

Prasad S, Brooks BR (2020) J Comput Aided Mol Des 34(5):535

Article  CAS  PubMed  PubMed Central  Google Scholar 

Daina A, Michielin O, Zoete V (2014) J Chem Inf Model 54(12):3284

Article  CAS  PubMed  Google Scholar 

Kim T, Park H (2015) J Mol Graph Model 60:108

Article  CAS  PubMed  Google Scholar 

Takahashi T, Matsui T, Hengphasatporn K, Shigeta Y (2021) Bull Chem Soc Jpn 94(7):1807

Article  CAS  Google Scholar 

Cheng T, Zhao Y, Li X, Lin F, Xu Y, Zhang X, Li Y, Wang R, Lai L (2007) J Chem Inf Model 47(6):2140

Article  CAS  PubMed  Google Scholar 

Wildman SA, Crippen GM (1999) J Chem Inf Comput Sci 39(5):868

Article  CAS  Google Scholar 

Wang RX, Fu Y, Lai LH (1997) J Chem Inf Comput Sci 37(3):615

Article  CAS  Google Scholar 

Morgan HL (1965) J Chem Doc 5(2):107

Article  CAS  Google Scholar 

Tanimoto T (1957) Internal IBM Technical Report (8)

Lomize MA, Pogozheva ID, Joo H, Mosberg HI, Lomize AL (2012) Nucleic Acids Res 40(Database issue):D370

Article  CAS  PubMed  Google Scholar 

RDKit Open-Source Cheminformatics Software

Moreno AJR (2021) GitHub repository

Eberhardt J, Santos-Martins D, Tillack AF, Forli S (2021) J Chem Inf Model 61(8):3891

Article  CAS  PubMed  Google Scholar 

Koes DR, Baumgartner MP, Camacho CJ (2013) J Chem Inf Model 53(8):1893

Article  CAS  PubMed  PubMed Central  Google Scholar 

Sun Y, Zhao H, Wang J, Zhu J, Wu S (2015) Appl Microbiol Biotechnol 99(18):7559

Article  CAS  PubMed  Google Scholar 

Kucerka N, Nagle JF, Sachs JN, Feller SE, Pencer J, Jackson A, Katsaras J (2008) Biophys J 95(5):2356

Article  CAS  PubMed  PubMed Central  Google Scholar 

Ogata K, Hatakeyama M, Nakamura S (2018) Molecules 23(2):425

Article  PubMed  PubMed Central  Google Scholar 

Bannan CC, Calabro G, Kyu DY, Mobley DL (2016) J Chem Theory Comput 12(8):4015

Article  CAS  PubMed  PubMed Central  Google Scholar 

Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WTM, Mortenson PN, Murray CW (2007) J Med Chem 50(4):726

Article  CAS  PubMed  Google Scholar 

Liu ZH, Li Y, Han L, Li J, Liu J, Zhao ZX, Nie W, Liu YC, Wang RX (2015) Bioinformatics 31(3):405

Article  CAS  PubMed  Google Scholar 

Su MY, Yang QF, Du Y, Feng GQ, Liu ZH, Li Y, Wang RX (2019) J Chem Inf Model 59(2):895

Article  CAS  PubMed  Google Scholar 

Sato N, Ishii S, Sugimoto H, Hino T, Fukumori Y, Sako Y, Shiro Y, Tosha T (2014) Proteins 82(7):1258

Article  CAS  PubMed  Google Scholar 

Zhang J, Frerman FE, Kim JJ (2006) Proc Natl Acad Sci U S A 103(44):16212

Article  CAS  PubMed  PubMed Central  Google Scholar 

Zhu G, Zeng H, Zhang S, Juli J, Pang X, Hoffmann J, Zhang Y, Morgner N, Zhu Y, Peng G, Michel H, Sun F (2020) Angew Chem Int Ed Engl 59(1):343

Article  CAS  PubMed  Google Scholar 

Tocilescu MA, Zickermann V, Zwicker K, Brandt U (2010) Biochim Biophys Acta 1797(12):1883

Article  CAS  PubMed  Google Scholar 

Muh F, Glockner C, Hellmich J, Zouni A (2012) Biochim Biophys Acta 1817(1):44

Article  PubMed  Google Scholar 

Nygaard R, Yu J, Kim J, Ross DR, Parisi G, Clarke OB, Virshup DM, Mancia F (2021) Cell 184(1):194

Article  CAS  PubMed  Google Scholar 

Hasan SS, Cramer WA (2014) Structure 22(7):1008

Article  CAS  PubMed  PubMed Central  Google Scholar 

Berg J, Liu J, Svahn E, Ferguson-Miller S, Brzezinski P (2020) Biochim Biophys Acta Bioenerg 1861(2):148116

Article  CAS  PubMed  Google Scholar 

Mobbs JI, Belousoff MJ, Harikumar KG, Piper SJ, Xu X, Furness SGB, Venugopal H, Christopoulos A, Danev R, Wootten D, Thal DM, Miller LJ, Sexton PM (2021) PLoS Biol 19(6):e3001295

Article 

留言 (0)

沒有登入
gif