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Items: 12

1.

The Pharmacophore Concept and Its Applications in Computer-Aided Drug Design.

Seidel T, Schuetz DA, Garon A, Langer T.

Prog Chem Org Nat Prod. 2019;110:99-141. doi: 10.1007/978-3-030-14632-0_4. Review.

PMID:
31621012
2.

The lifespan quantitative trait locus gene Securin controls hematopoietic progenitor cell function.

Brown A, Schuetz D, Han Y, Daria D, Nattamai KJ, Eiwen K, Sakk V, Pospiech J, Saller T, van Zant G, Wagner W, Geiger H.

Haematologica. 2020 Jan 31;105(2):317-324. doi: 10.3324/haematol.2018.213009. Print 2020. No abstract available.

3.

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics.

Schuetz DA, Bernetti M, Bertazzo M, Musil D, Eggenweiler HM, Recanatini M, Masetti M, Ecker GF, Cavalli A.

J Chem Inf Model. 2019 Jan 28;59(1):535-549. doi: 10.1021/acs.jcim.8b00614. Epub 2018 Dec 13.

PMID:
30500211
4.

GRAIL: GRids of phArmacophore Interaction fieLds.

Schuetz DA, Seidel T, Garon A, Martini R, Körbel M, Ecker GF, Langer T.

J Chem Theory Comput. 2018 Sep 11;14(9):4958-4970. doi: 10.1021/acs.jctc.8b00495. Epub 2018 Aug 20.

PMID:
30075621
5.

Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.

Schuetz DA, Richter L, Amaral M, Grandits M, Grädler U, Musil D, Buchstaller HP, Eggenweiler HM, Frech M, Ecker GF.

J Med Chem. 2018 May 24;61(10):4397-4411. doi: 10.1021/acs.jmedchem.8b00080. Epub 2018 May 10.

PMID:
29701469
6.

Chain Assembly and Disassembly Processes Differently Affect the Conformational Space of Ubiquitin Chains.

Kniss A, Schuetz D, Kazemi S, Pluska L, Spindler PE, Rogov VV, Husnjak K, Dikic I, Güntert P, Sommer T, Prisner TF, Dötsch V.

Structure. 2018 Feb 6;26(2):249-258.e4. doi: 10.1016/j.str.2017.12.011. Epub 2018 Jan 18.

7.

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.

Schuetz DA, de Witte WEA, Wong YC, Knasmueller B, Richter L, Kokh DB, Sadiq SK, Bosma R, Nederpelt I, Heitman LH, Segala E, Amaral M, Guo D, Andres D, Georgi V, Stoddart LA, Hill S, Cooke RM, De Graaf C, Leurs R, Frech M, Wade RC, de Lange ECM, IJzerman AP, Müller-Fahrnow A, Ecker GF.

Drug Discov Today. 2017 Jun;22(6):896-911. doi: 10.1016/j.drudis.2017.02.002. Epub 2017 Apr 13. Review.

PMID:
28412474
8.

Relative Orientation of POTRA Domains from Cyanobacterial Omp85 Studied by Pulsed EPR Spectroscopy.

Dastvan R, Brouwer EM, Schuetz D, Mirus O, Schleiff E, Prisner TF.

Biophys J. 2016 May 24;110(10):2195-206. doi: 10.1016/j.bpj.2016.04.030.

9.

Nucleotides and substrates trigger the dynamics of the Toc34 GTPase homodimer involved in chloroplast preprotein translocation.

Lumme C, Altan-Martin H, Dastvan R, Sommer MS, Oreb M, Schuetz D, Hellenkamp B, Mirus O, Kretschmer J, Lyubenova S, Kügel W, Medelnik JP, Dehmer M, Michaelis J, Prisner TF, Hugel T, Schleiff E.

Structure. 2014 Apr 8;22(4):526-38. doi: 10.1016/j.str.2014.02.004. Epub 2014 Mar 13.

10.

4,4',4''-(Methane-triyl)triphenyl tris-(2,2,5,5-tetra-methyl-1-oxyl-3-pyrroline-3-carboxyl-ate) benzene tris-olvate.

Schuetz D, Margraf D, Prisner TF, Bats JW.

Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 3;66(Pt 4):o729-30. doi: 10.1107/S1600536810007294.

11.

Biphenyl-4,4'-diyl bis-(2,2,5,5-tetra-methyl-1-oxyl-3-pyrroline-3-carboxyl-ate).

Margraf D, Schuetz D, Prisner TF, Bats JW.

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1784. doi: 10.1107/S1600536809024659.

12.

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