Malmstrom RD - Search Results

1

Bridging scales through multiscale modeling: a case study on protein kinase A.

Boras BW, Hirakis SP, Votapka LW, Malmstrom RD, Amaro RE, McCulloch AD. Boras BW, et al. Among authors: malmstrom rd. Front Physiol. 2015 Sep 9;6:250. doi: 10.3389/fphys.2015.00250. eCollection 2015. Front Physiol. 2015. PMID: 26441670 Free PMC article. Review.

2

On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins.

Malmstrom RD, Lee CT, Van Wart A, Amaro RE. Malmstrom RD, et al. J Chem Theory Comput. 2014 Jul 8;10(7):2648-2657. doi: 10.1021/ct5002363. J Chem Theory Comput. 2014. PMID: 25473382 Free PMC article.

3

Allostery through the computational microscope: cAMP activation of a canonical signalling domain.

Malmstrom RD, Kornev AP, Taylor SS, Amaro RE. Malmstrom RD, et al. Nat Commun. 2015 Jul 6;6:7588. doi: 10.1038/ncomms8588. Nat Commun. 2015. PMID: 26145448 Free PMC article.

4

Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.

Wagner JR, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE. Wagner JR, et al. Among authors: malmstrom rd. Chem Rev. 2016 Jun 8;116(11):6370-90. doi: 10.1021/acs.chemrev.5b00631. Epub 2016 Apr 13. Chem Rev. 2016. PMID: 27074285 Free PMC article. Review.

5

Electrostatic Interactions as Mediators in the Allosteric Activation of Protein Kinase A RIα.

P Barros E, Malmstrom RD, Nourbakhsh K, Del Rio JC, Kornev AP, Taylor SS, Amaro RE. P Barros E, et al. Among authors: malmstrom rd. Biochemistry. 2017 Mar 14;56(10):1536-1545. doi: 10.1021/acs.biochem.6b01152. Epub 2017 Mar 6. Biochemistry. 2017. PMID: 28221775 Free PMC article.

6

Molecular Simulations Reveal an Unresolved Conformation of the Type IA Protein Kinase A Regulatory Subunit and Suggest Its Role in the cAMP Regulatory Mechanism.

Hirakis SP, Malmstrom RD, Amaro RE. Hirakis SP, et al. Among authors: malmstrom rd. Biochemistry. 2017 Aug 1;56(30):3885-3888. doi: 10.1021/acs.biochem.7b00461. Epub 2017 Jul 17. Biochemistry. 2017. PMID: 28661131 Free PMC article.

7

Capturing Invisible Motions in the Transition from Ground to Rare Excited States of T4 Lysozyme L99A.

Schiffer JM, Feher VA, Malmstrom RD, Sida R, Amaro RE. Schiffer JM, et al. Among authors: malmstrom rd. Biophys J. 2016 Oct 18;111(8):1631-1640. doi: 10.1016/j.bpj.2016.08.041. Biophys J. 2016. PMID: 27760351 Free PMC article.

8

A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics.

Purawat S, Ieong PU, Malmstrom RD, Chan GJ, Yeung AK, Walker RC, Altintas I, Amaro RE. Purawat S, et al. Among authors: malmstrom rd. Biophys J. 2017 Jun 20;112(12):2469-2474. doi: 10.1016/j.bpj.2017.04.055. Biophys J. 2017. PMID: 28636905 Free PMC article.

9

OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring-Flip Frequencies Determined by Integrated Use of ¹ H NMR Spectroscopy and Molecular Dynamics Simulations.

Martin BT, Malmstrom RD, Amaro RE, Wüthrich K. Martin BT, et al. Among authors: malmstrom rd. Chembiochem. 2021 Feb 2;22(3):565-570. doi: 10.1002/cbic.202000517. Epub 2020 Nov 4. Chembiochem. 2021. PMID: 32975902

10

Model of the Ankyrin and SOCS Box Protein, ASB9, E3 Ligase Reveals a Mechanism for Dynamic Ubiquitin Transfer.

Schiffer JM, Malmstrom RD, Parnell J, Ramirez-Sarmiento C, Reyes J, Amaro RE, Komives EA. Schiffer JM, et al. Among authors: malmstrom rd. Structure. 2016 Aug 2;24(8):1248-1256. doi: 10.1016/j.str.2016.05.016. Epub 2016 Jul 7. Structure. 2016. PMID: 27396830 Free PMC article.

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