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Results: 1 to 20 of 278

1.

A compact native 24-residue supersecondary structure derived from the villin headpiece subdomain.

Hocking HG, Häse F, Madl T, Zacharias M, Rief M, Žoldák G.

Biophys J. 2015 Feb 3;108(3):678-86. doi: 10.1016/j.bpj.2014.11.3482.

PMID:
25650934
[PubMed - in process]
2.

A Web Interface for Easy Flexible Protein-Protein Docking with ATTRACT.

de Vries SJ, Schindler CE, Chauvot de Beauchêne I, Zacharias M.

Biophys J. 2015 Feb 3;108(3):462-5. doi: 10.1016/j.bpj.2014.12.015.

PMID:
25650913
[PubMed - in process]
3.

The qualitative detection of decreases in cardiac output.

Harrison MJ, Scott-Weekly R, Zacharias M.

Comput Biol Med. 2015 Mar;58:85-90. doi: 10.1016/j.compbiomed.2014.12.017. Epub 2015 Jan 8.

PMID:
25622179
[PubMed - in process]
4.

Atomic-layer-deposition alumina induced carbon on porous NixCo1 - xO nanonets for enhanced pseudocapacitive and Li-ion storage performance.

Guan C, Wang Y, Zacharias M, Wang J, Fan HJ.

Nanotechnology. 2015 Jan 9;26(1):014001. doi: 10.1088/0957-4484/26/1/014001. Epub 2014 Dec 9.

PMID:
25489994
[PubMed - in process]
5.

Ultra-long zinc oxide nanowires and boron doping based on ionic liquid assisted thermal chemical vapor deposition growth.

Menzel A, Komin K, Yang Y, Güder F, Trouillet V, Werner P, Zacharias M.

Nanoscale. 2015 Jan 7;7(1):92-7. doi: 10.1039/c4nr05426a.

PMID:
25407691
[PubMed - in process]
6.

iATTRACT: Simultaneous global and local interface optimization for protein-protein docking refinement.

Schindler CE, de Vries SJ, Zacharias M.

Proteins. 2015 Feb;83(2):248-58. doi: 10.1002/prot.24728. Epub 2014 Dec 18.

PMID:
25402278
[PubMed - in process]
7.

Influence of a cis,syn-cyclobutane pyrimidine dimer damage on DNA conformation studied by molecular dynamics simulations.

Knips A, Zacharias M.

Biopolymers. 2015 Apr;103(4):215-22. doi: 10.1002/bip.22586.

PMID:
25382106
[PubMed - in process]
8.

Population pharmacokinetic-pharmacodynamic modelling to describe the effects of paracetamol and N-acetylcysteine on the international normalized ratio.

Owens KH, Medlicott NJ, Zacharias M, Whyte IM, Buckley NA, Reith DM.

Clin Exp Pharmacol Physiol. 2015 Jan;42(1):102-8. doi: 10.1111/1440-1681.12327.

PMID:
25316328
[PubMed - in process]
9.

Efficient calculation of relative binding free energies by umbrella sampling perturbation.

Zeller F, Zacharias M.

J Comput Chem. 2014 Dec 5;35(31):2256-62. doi: 10.1002/jcc.23744. Epub 2014 Sep 30.

PMID:
25266275
[PubMed - in process]
10.

Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.

Ostermeir K, Zacharias M.

Proteins. 2014 Dec;82(12):3410-9. doi: 10.1002/prot.24695. Epub 2014 Oct 10.

PMID:
25243707
[PubMed - in process]
11.

Rapid alchemical free energy calculation employing a generalized born implicit solvent model.

Ostermeir K, Zacharias M.

J Phys Chem B. 2015 Jan 22;119(3):968-75. doi: 10.1021/jp506367y. Epub 2014 Sep 11.

PMID:
25160060
[PubMed - in process]
12.

Coupling between side chain interactions and binding pocket flexibility in HLA-B*44:02 molecules investigated by molecular dynamics simulations.

Ostermeir K, Springer S, Zacharias M.

Mol Immunol. 2015 Feb;63(2):312-9. doi: 10.1016/j.molimm.2014.07.021. Epub 2014 Aug 18.

PMID:
25146482
[PubMed - in process]
13.

Effect O6-guanine alkylation on DNA flexibility studied by comparative molecular dynamics simulations.

Kara M, Drsata T, Lankas F, Zacharias M.

Biopolymers. 2015 Jan;103(1):23-32. doi: 10.1002/bip.22535.

PMID:
25130987
[PubMed - in process]
14.

A residue-specific shift in stability and amyloidogenicity of antibody variable domains.

Nokwe CN, Zacharias M, Yagi H, Hora M, Reif B, Goto Y, Buchner J.

J Biol Chem. 2014 Sep 26;289(39):26829-46. doi: 10.1074/jbc.M114.582247. Epub 2014 Aug 5.

PMID:
25096580
[PubMed - indexed for MEDLINE]
15.

Continuous positive airway pressure (CPAP) during the postoperative period for prevention of postoperative morbidity and mortality following major abdominal surgery.

Ireland CJ, Chapman TM, Mathew SF, Herbison GP, Zacharias M.

Cochrane Database Syst Rev. 2014 Aug 1;8:CD008930. doi: 10.1002/14651858.CD008930.pub2. Review.

PMID:
25081420
[PubMed - indexed for MEDLINE]
16.

Computational antigenic epitope prediction by calculating electrostatic desolvation penalties of protein surfaces.

Fiorucci S, Zacharias M.

Methods Mol Biol. 2014;1184:365-74. doi: 10.1007/978-1-4939-1115-8_20.

PMID:
25048135
[PubMed - in process]
17.

Evaluation of Generalized Born Model Accuracy for Absolute Binding Free Energy Calculations.

Zeller F, Zacharias M.

J Phys Chem B. 2014 Jun 27. [Epub ahead of print]

PMID:
24941018
[PubMed - as supplied by publisher]
18.

Laparoscopic versus open partial nephrectomy for clinical T1 renal masses: no impact of surgical approach on perioperative complications and long-term postoperative quality of life.

Becker A, Pradel L, Kluth L, Schmid M, Eichelberg C, Ahyai S, Trinh Q, Seiler D, Dahlem R, Hansen J, Rink M, Zacharias M, Mehnert A, Bergelt C, Fisch M, Chun FK.

World J Urol. 2014 May 31. [Epub ahead of print]

PMID:
24879404
[PubMed - as supplied by publisher]
19.

Protein-ligand docking using hamiltonian replica exchange simulations with soft core potentials.

Luitz MP, Zacharias M.

J Chem Inf Model. 2014 Jun 23;54(6):1669-75. doi: 10.1021/ci500296f. Epub 2014 Jun 9.

PMID:
24855894
[PubMed - indexed for MEDLINE]
20.

Population pharmacokinetics of intravenous acetaminophen and its metabolites in major surgical patients.

Owens KH, Murphy PG, Medlicott NJ, Kennedy J, Zacharias M, Curran N, Sreebhavan S, Thompson-Fawcett M, Reith DM.

J Pharmacokinet Pharmacodyn. 2014 Jun;41(3):211-21. doi: 10.1007/s10928-014-9358-0. Epub 2014 May 21.

PMID:
24846170
[PubMed - indexed for MEDLINE]
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