Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 162


The endoplasmic reticulum acetyltransferases ATase1/NAT8B and ATase2/NAT8 are differentially regulated to adjust engagement of the secretory pathway.

Rigby MJ, Ding Y, Farrugia MA, Feig M, Cortese GP, Mitchell H, Burger C, Puglielli L.

J Neurochem. 2020 Jan 16:e14958. doi: 10.1111/jnc.14958. [Epub ahead of print]


Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units.

Gong X, Chiricotto M, Liu X, Nordquist E, Feig M, Brooks CL 3rd, Chen J.

J Comput Chem. 2020 Mar 30;41(8):830-838. doi: 10.1002/jcc.26133. Epub 2019 Dec 24.


Clustering and dynamics of crowded proteins near membranes and their influence on membrane bending.

Nawrocki G, Im W, Sugita Y, Feig M.

Proc Natl Acad Sci U S A. 2019 Dec 3;116(49):24562-24567. doi: 10.1073/pnas.1910771116. Epub 2019 Nov 18.


High-accuracy protein structures by combining machine-learning with physics-based refinement.

Heo L, Feig M.

Proteins. 2020 May;88(5):637-642. doi: 10.1002/prot.25847. Epub 2019 Nov 15.


Modeling Crowded Environment in Molecular Simulations.

Ostrowska N, Feig M, Trylska J.

Front Mol Biosci. 2019 Sep 11;6:86. doi: 10.3389/fmolb.2019.00086. eCollection 2019. Review.


Thermal Stability of Peptide Nucleic Acid Complexes.

Jasiński M, Miszkiewicz J, Feig M, Trylska J.

J Phys Chem B. 2019 Oct 3;123(39):8168-8177. doi: 10.1021/acs.jpcb.9b05168. Epub 2019 Sep 20.


Global plasma protein profiling reveals DCM characteristic protein signatures.

Feig MA, Pop C, Bhardwaj G, Sappa PK, Dörr M, Ameling S, Weitmann K, Nauck M, Lehnert K, Beug D, Kühl U, Schultheiss HP, Völker U, Felix SB, Hammer E.

J Proteomics. 2019 Oct 30;209:103508. doi: 10.1016/j.jprot.2019.103508. Epub 2019 Aug 30.


Crystal structure and superconducting properties of Sc5Ir6Sn18.

Levytskyi V, Feig M, Akselrud L, Schnelle W, Leithe-Jasper A, Dyadkin V, Chernyshov D, Gumeniuk R.

J Phys Condens Matter. 2019 Nov 6;31(44):445603. doi: 10.1088/1361-648X/ab32d0. Epub 2019 Jul 17.


Whole-Cell Models and Simulations in Molecular Detail.

Feig M, Sugita Y.

Annu Rev Cell Dev Biol. 2019 Oct 6;35:191-211. doi: 10.1146/annurev-cellbio-100617-062542. Epub 2019 Jul 12.


Driven to near-experimental accuracy by refinement via molecular dynamics simulations.

Heo L, Arbour CF, Feig M.

Proteins. 2019 Dec;87(12):1263-1275. doi: 10.1002/prot.25759. Epub 2019 Jun 24.


The phage L capsid decoration protein has a novel OB-fold and an unusual capsid binding strategy.

Newcomer RL, Schrad JR, Gilcrease EB, Casjens SR, Feig M, Teschke CM, Alexandrescu AT, Parent KN.

Elife. 2019 Apr 4;8. pii: e45345. doi: 10.7554/eLife.45345.


Erratum zu: Umsetzung der Masern- und Pertussisimpfempfehlungen für Erwachsene.

Rieck T, Matysiak-Klose D, Hellenbrand W, Koch J, Feig M, Siedler A, Wichmann O.

Bundesgesundheitsblatt Gesundheitsforschung Gesundheitsschutz. 2019 Apr;62(4):534. doi: 10.1007/s00103-019-02933-x. German. No abstract available.


Mean platelet volume is more important than age for defining reference intervals of platelet counts.

Ittermann T, Feig MA, Petersmann A, Radke D, Greinacher A, Völzke H, Thiele T.

PLoS One. 2019 Mar 14;14(3):e0213658. doi: 10.1371/journal.pone.0213658. eCollection 2019.


[Compliance with adult measles and pertussis vaccination recommendations : Analysis of data from the national monitoring system KV-Impfsurveillance].

Rieck T, Matysiak-Klose D, Hellenbrand W, Koch J, Feig M, Siedler A, Wichmann O.

Bundesgesundheitsblatt Gesundheitsforschung Gesundheitsschutz. 2019 Apr;62(4):422-432. doi: 10.1007/s00103-019-02902-4. German. Erratum in: Bundesgesundheitsblatt Gesundheitsforschung Gesundheitsschutz. 2019 Mar 26;:.


High-Performance Data Analysis on the Big Trajectory Data of Cellular Scale All-atom Molecular Dynamics Simulations.

Yu I, Feig M, Sugita Y.

J Phys Conf Ser. 2018;1036. pii: 012009. doi: 10.1088/1742-6596/1036/1/012009. Epub 2018 Jun 27.


Challenges and opportunities in connecting simulations with experiments via molecular dynamics of cellular environments.

Feig M, Nawrocki G, Yu I, Wang PH, Sugita Y.

J Phys Conf Ser. 2018;1036. pii: 012010. doi: 10.1088/1742-6596/1036/1/012010. Epub 2018 Jun 27.


Effect of protein-protein interactions and solvent viscosity on the rotational diffusion of proteins in crowded environments.

Nawrocki G, Karaboga A, Sugita Y, Feig M.

Phys Chem Chem Phys. 2019 Jan 2;21(2):876-883. doi: 10.1039/c8cp06142d.


Role of protein interactions in stabilizing canonical DNA features in simulations of DNA in crowded environments.

Yildirim A, Brenner N, Sutherland R, Feig M.

BMC Biophys. 2018 Dec 7;11:8. doi: 10.1186/s13628-018-0048-y. eCollection 2018.


Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning.

Brocke SA, Degen A, MacKerell AD Jr, Dutagaci B, Feig M.

J Chem Inf Model. 2019 Mar 25;59(3):1147-1162. doi: 10.1021/acs.jcim.8b00648. Epub 2018 Dec 27.


Experimental accuracy in protein structure refinement via molecular dynamics simulations.

Heo L, Feig M.

Proc Natl Acad Sci U S A. 2018 Dec 26;115(52):13276-13281. doi: 10.1073/pnas.1811364115. Epub 2018 Dec 10.


Antibiotic consumption in Germany: first data of a newly implemented web-based tool for local and national surveillance.

Schweickert B, Feig M, Schneider M, Willrich N, Behnke M, Peña Diaz LA, Gastmeier P, Richter D, Blank HP, Eckmanns T, Abu Sin M.

J Antimicrob Chemother. 2018 Dec 1;73(12):3505-3515. doi: 10.1093/jac/dky345.


Intramolecular Diffusion in α-Synuclein: It Depends on How You Measure It.

Woodard J, Srivastava KR, Rahamim G, Grupi A, Hogan S, Witalka DJ, Nawrocki G, Haas E, Feig M, Lapidus LJ.

Biophys J. 2018 Oct 2;115(7):1190-1199. doi: 10.1016/j.bpj.2018.08.023. Epub 2018 Aug 27.


The role of social media for blood donor motivation and recruitment.

Sümnig A, Feig M, Greinacher A, Thiele T.

Transfusion. 2018 Oct;58(10):2257-2259. doi: 10.1111/trf.14823. Epub 2018 Sep 10.


Antibiotic-Resistant E. coli in Uncomplicated Community-Acquired Urinary Tract Infection.

Klingeberg A, Noll I, Willrich N, Feig M, Emrich D, Zill E, Krenz-Weinreich A, Kalka-Moll W, Oberdorfer K, Schmiemann G, Eckmanns T.

Dtsch Arztebl Int. 2018 Jul 23;115(29-30):494-500. doi: 10.3238/arztebl.2018.0494.


Carbapenem non-susceptibility of Klebsiella pneumoniae isolates in hospitals from 2011 to 2016, data from the German Antimicrobial Resistance Surveillance (ARS).

Koppe U, von Laer A, Kroll LE, Noll I, Feig M, Schneider M, Claus H, Eckmanns T, Abu Sin M.

Antimicrob Resist Infect Control. 2018 Jun 5;7:71. doi: 10.1186/s13756-018-0362-9. eCollection 2018.


Improved Force Fields for Peptide Nucleic Acids with Optimized Backbone Torsion Parameters.

Jasiński M, Feig M, Trylska J.

J Chem Theory Comput. 2018 Jul 10;14(7):3603-3620. doi: 10.1021/acs.jctc.8b00291. Epub 2018 Jun 6.


Structure refinement of membrane proteins via molecular dynamics simulations.

Dutagaci B, Heo L, Feig M.

Proteins. 2018 Jul;86(7):738-750. doi: 10.1002/prot.25508. Epub 2018 May 6.


High-resolution 3D models of Caulobacter crescentus chromosome reveal genome structural variability and organization.

Yildirim A, Feig M.

Nucleic Acids Res. 2018 May 4;46(8):3937-3952. doi: 10.1093/nar/gky141.


Interaction of intramembrane metalloprotease SpoIVFB with substrate Pro-σK.

Halder S, Parrell D, Whitten D, Feig M, Kroos L.

Proc Natl Acad Sci U S A. 2017 Dec 12;114(50):E10677-E10686. doi: 10.1073/pnas.1711467114. Epub 2017 Nov 27.


Determination of Hydrophobic Lengths of Membrane Proteins with the HDGB Implicit Membrane Model.

Dutagaci B, Feig M.

J Chem Inf Model. 2017 Dec 26;57(12):3032-3042. doi: 10.1021/acs.jcim.7b00510. Epub 2017 Dec 1.


Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

Nawrocki G, Wang PH, Yu I, Sugita Y, Feig M.

J Phys Chem B. 2017 Dec 14;121(49):11072-11084. doi: 10.1021/acs.jpcb.7b08785. Epub 2017 Nov 30.


PREFMD: a web server for protein structure refinement via molecular dynamics simulations.

Heo L, Feig M.

Bioinformatics. 2018 Mar 15;34(6):1063-1065. doi: 10.1093/bioinformatics/btx726.


Two-gap superconductivity in Ag1-x Mo6S8 Chevrel phase.

Feig M, Bobnar M, Veremchuk I, Hennig C, Burkhardt U, Starke R, Kundys B, Leithe-Jasper A, Gumeniuk R.

J Phys Condens Matter. 2017 Dec 13;29(49):495603. doi: 10.1088/1361-648X/aa97fd.


Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields.

Kar P, Feig M.

J Chem Theory Comput. 2017 Nov 14;13(11):5753-5765. doi: 10.1021/acs.jctc.7b00840. Epub 2017 Oct 19.


What makes it difficult to refine protein models further via molecular dynamics simulations?

Heo L, Feig M.

Proteins. 2018 Mar;86 Suppl 1:177-188. doi: 10.1002/prot.25393. Epub 2017 Oct 16.


Crowding in Cellular Environments at an Atomistic Level from Computer Simulations.

Feig M, Yu I, Wang PH, Nawrocki G, Sugita Y.

J Phys Chem B. 2017 Aug 31;121(34):8009-8025. doi: 10.1021/acs.jpcb.7b03570. Epub 2017 Jul 12.


Assessing varicella vaccine effectiveness and its influencing factors using health insurance claims data, Germany, 2006 to 2015.

Rieck T, Feig M, An der Heiden M, Siedler A, Wichmann O.

Euro Surveill. 2017 Apr 27;22(17). pii: 30521. doi: 10.2807/1560-7917.ES.2017.22.17.30521.


Discrimination of Native-like States of Membrane Proteins with Implicit Membrane-based Scoring Functions.

Dutagaci B, Wittayanarakul K, Mori T, Feig M.

J Chem Theory Comput. 2017 Jun 13;13(6):3049-3059. doi: 10.1021/acs.jctc.7b00254. Epub 2017 May 11.


Computational protein structure refinement: Almost there, yet still so far to go.

Feig M.

Wiley Interdiscip Rev Comput Mol Sci. 2017 May-Jun;7(3). pii: e1307. doi: 10.1002/wcms.1307. Epub 2017 Mar 28.


Kinetics of nucleotide entry into RNA polymerase active site provides mechanism for efficiency and fidelity.

Wang B, Sexton RE, Feig M.

Biochim Biophys Acta Gene Regul Mech. 2017 Apr;1860(4):482-490. doi: 10.1016/j.bbagrm.2017.02.008. Epub 2017 Feb 24.


Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices.

Dutagaci B, Sayadi M, Feig M.

J Comput Chem. 2017 Jun 15;38(16):1308-1320. doi: 10.1002/jcc.24691. Epub 2017 Feb 4.


CHARMM36m: an improved force field for folded and intrinsically disordered proteins.

Huang J, Rauscher S, Nawrocki G, Ran T, Feig M, de Groot BL, Grubmüller H, MacKerell AD Jr.

Nat Methods. 2017 Jan;14(1):71-73. doi: 10.1038/nmeth.4067. Epub 2016 Nov 7.


Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm.

Yu I, Mori T, Ando T, Harada R, Jung J, Sugita Y, Feig M.

Elife. 2016 Nov 1;5. pii: e19274. doi: 10.7554/eLife.19274.


Thermodynamics of Macromolecular Association in Heterogeneous Crowding Environments: Theoretical and Simulation Studies with a Simplified Model.

Ando T, Yu I, Feig M, Sugita Y.

J Phys Chem B. 2016 Nov 23;120(46):11856-11865. Epub 2016 Nov 15.


Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways.

Wang B, Francis J, Sharma M, Law SM, Predeus AV, Feig M.

PLoS Comput Biol. 2016 Oct 21;12(10):e1005159. doi: 10.1371/journal.pcbi.1005159. eCollection 2016 Oct.


Intrinsic Base-Pair Rearrangement in the Hairpin Ribozyme Directs RNA Conformational Sampling and Tertiary Interface Formation.

Ochieng PO, White NA, Feig M, Hoogstraten CG.

J Phys Chem B. 2016 Oct 27;120(42):10885-10898. doi: 10.1021/acs.jpcb.6b05606. Epub 2016 Oct 14.


Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD.

Feig M.

J Chem Inf Model. 2016 Jul 25;56(7):1304-12. doi: 10.1021/acs.jcim.6b00222. Epub 2016 Jul 13.


Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.

Mori T, Miyashita N, Im W, Feig M, Sugita Y.

Biochim Biophys Acta. 2016 Jul;1858(7 Pt B):1635-51. doi: 10.1016/j.bbamem.2015.12.032. Epub 2016 Jan 5. Review.


GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.

Jung J, Mori T, Kobayashi C, Matsunaga Y, Yoda T, Feig M, Sugita Y.

Wiley Interdiscip Rev Comput Mol Sci. 2015 Jul;5(4):310-323. Epub 2015 May 7.

Supplemental Content

Support Center