Year |
Citation |
Score |
2017 |
Hirakis SP, Malmstrom RD, Amaro RE. Molecular simulations reveal an unresolved conformation of the Type-IA Protein Kinase A regulatory subunit and suggest its role in the cAMP association mechanism. Biochemistry. PMID 28661131 DOI: 10.1021/Acs.Biochem.7B00461 |
0.345 |
|
2017 |
Pecora de Barros E, Malmstrom RD, Nourbakhsh K, Del Rio JC, Kornev AP, Taylor SS, Amaro RE. Electrostatic interactions as mediators in the allosteric activation of PKA RIα. Biochemistry. PMID 28221775 DOI: 10.1021/Acs.Biochem.6B01152 |
0.379 |
|
2016 |
Schiffer JM, Feher VA, Malmstrom RD, Sida R, Amaro RE. Capturing Invisible Motions in the Transition from Ground to Rare Excited States of T4 Lysozyme L99A. Biophysical Journal. 111: 1631-1640. PMID 27760351 DOI: 10.1016/J.Bpj.2016.08.041 |
0.337 |
|
2016 |
Schiffer JM, Malmstrom RD, Parnell J, Ramirez-Sarmiento C, Reyes J, Amaro RE, Komives EA. Model of the Ankyrin and SOCS Box Protein, ASB9, E3 Ligase Reveals a Mechanism for Dynamic Ubiquitin Transfer. Structure (London, England : 1993). PMID 27396830 DOI: 10.1016/J.Str.2016.05.016 |
0.339 |
|
2016 |
Wagner JR, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE. Emerging Computational Methods for the Rational Discovery of Allosteric Drugs. Chemical Reviews. PMID 27074285 DOI: 10.1021/Acs.Chemrev.5B00631 |
0.445 |
|
2016 |
Malmstrom RD, Kornev AP, Taylor SS, Amaro RE. Protein-Ligand Interactions through the Computational Microscope: Allostery in a Canonical Signaling Domain Biophysical Journal. 110: 52a. DOI: 10.1016/J.Bpj.2015.11.346 |
0.398 |
|
2016 |
Schiffer J, Sida R, Arciniega D, Malmstrom R, Feher V, Amaro R. Seeing the Unseen: Sampling the Excited State of T4 Lysozyme L99A with Simulations on the Anton Supercomputer Biophysical Journal. 110: 11a-12a. DOI: 10.1016/J.Bpj.2015.11.120 |
0.334 |
|
2015 |
Boras BW, Hirakis SP, Votapka LW, Malmstrom RD, Amaro RE, McCulloch AD. Bridging scales through multiscale modeling: a case study on protein kinase A. Frontiers in Physiology. 6: 250. PMID 26441670 DOI: 10.3389/Fphys.2015.00250 |
0.359 |
|
2015 |
Malmstrom RD, Kornev AP, Taylor SS, Amaro RE. Allostery through the computational microscope: cAMP activation of a canonical signalling domain. Nature Communications. 6: 7588. PMID 26145448 DOI: 10.1038/Ncomms8588 |
0.385 |
|
2014 |
Malmstrom RD, Lee CT, Van Wart A, Amaro RE. On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins. Journal of Chemical Theory and Computation. 10: 2648-2657. PMID 25473382 DOI: 10.1021/Ct5002363 |
0.329 |
|
2011 |
Malmstrom RD, Watowich SJ. Using free energy of binding calculations to improve the accuracy of virtual screening predictions. Journal of Chemical Information and Modeling. 51: 1648-55. PMID 21696204 DOI: 10.1021/Ci200126V |
0.519 |
|
2010 |
Russo AT, Malmstrom RD, White MA, Watowich SJ. Structural basis for substrate specificity of alphavirus nsP2 proteases. Journal of Molecular Graphics & Modelling. 29: 46-53. PMID 20483643 DOI: 10.1016/J.Jmgm.2010.04.005 |
0.549 |
|
2009 |
Tomlinson SM, Malmstrom RD, Watowich SJ. New approaches to structure-based discovery of dengue protease inhibitors. Infectious Disorders Drug Targets. 9: 327-43. PMID 19519486 DOI: 10.2174/1871526510909030327 |
0.53 |
|
2009 |
Tomlinson SM, Malmstrom RD, Russo A, Mueller N, Pang YP, Watowich SJ. Structure-based discovery of dengue virus protease inhibitors. Antiviral Research. 82: 110-4. PMID 19428601 DOI: 10.1016/J.Antiviral.2009.02.190 |
0.561 |
|
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