| Year |
Citation |
Score |
| 2021 |
Glaser M, Bruce NJ, Han SB, Wade RC. Simulation of the Positive Inotropic Peptide S100A1ct in Aqueous Environment by Gaussian Accelerated Molecular Dynamics. The Journal of Physical Chemistry. B. PMID 33944558 DOI: 10.1021/acs.jpcb.1c00902 |
0.495 |
|
| 2021 |
Reinhardt M, Bruce NJ, Kokh DB, Wade RC. Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics. Journal of Chemical Theory and Computation. PMID 33784462 DOI: 10.1021/acs.jctc.0c01312 |
0.74 |
|
| 2020 |
Mustafa G, Nandekar PP, Mukherjee G, Bruce NJ, Wade RC. The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics. Scientific Reports. 10: 7284. PMID 32350331 DOI: 10.1038/S41598-020-64129-7 |
0.722 |
|
| 2019 |
Bruce NJ, Narzi D, Trpevski D, van Keulen SC, Nair AG, Röthlisberger U, Wade RC, Carloni P, Hellgren Kotaleski J. Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals. Plos Computational Biology. 15: e1007382. PMID 31665146 DOI: 10.1371/Journal.Pcbi.1007382 |
0.504 |
|
| 2019 |
Mustafa G, Nandekar PP, Bruce NJ, Wade RC. Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19. International Journal of Molecular Sciences. 20. PMID 31487853 DOI: 10.3390/Ijms20184328 |
0.746 |
|
| 2019 |
Bruce NJ, Ganotra GK, Richter S, Wade RC. KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding. Journal of Chemical Information and Modeling. PMID 31381336 DOI: 10.1021/Acs.Jcim.9B00485 |
0.717 |
|
| 2019 |
Tong R, Wade RC, Bruce NJ. Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties. Proteins. 87: 619-620. PMID 31152609 DOI: 10.1002/prot.25698 |
0.428 |
|
| 2019 |
Mustafa G, Nandekar PP, Camp TJ, Bruce NJ, Gregory MC, Sligar SG, Wade RC. Influence of Transmembrane Helix Mutations on Cytochrome P450-Membrane Interactions and Function. Biophysical Journal. PMID 30658838 DOI: 10.1016/J.Bpj.2018.12.014 |
0.745 |
|
| 2017 |
Bruce NJ, Ganotra GK, Kokh DB, Sadiq SK, Wade RC. New approaches for computing ligand-receptor binding kinetics. Current Opinion in Structural Biology. 49: 1-10. PMID 29132080 DOI: 10.1016/J.Sbi.2017.10.001 |
0.681 |
|
| 2016 |
Tong R, Wade RC, Bruce NJ. Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties. Proteins. PMID 27667304 DOI: 10.1002/Prot.25167 |
0.497 |
|
| 2016 |
Lensink MF, Velankar S, Kryshtafovych A, Huang SY, Schneidman-Duhovny D, Sali A, Segura J, Fernandez-Fuentes N, Viswanath S, Elber R, Grudinin S, Popov P, Neveu E, Lee H, Baek M, ... ... Bruce NJ, et al. Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment. Proteins. PMID 27122118 DOI: 10.1002/Prot.25007 |
0.62 |
|
| 2015 |
Martinez M, Bruce NJ, Romanowska J, Kokh DB, Ozboyaci M, Yu X, Öztürk MA, Richter S, Wade RC. SDA 7: A modular and parallel implementation of the simulation of diffusional association software. Journal of Computational Chemistry. PMID 26123630 DOI: 10.1002/Jcc.23971 |
0.622 |
|
| 2015 |
Yu X, Martinez M, Gable AL, Fuller JC, Bruce NJ, Richter S, Wade RC. webSDA: a web server to simulate macromolecular diffusional association. Nucleic Acids Research. 43: W220-4. PMID 25883142 DOI: 10.1093/Nar/Gkv335 |
0.745 |
|
| 2014 |
Atzori A, Bruce NJ, Burusco KK, Wroblowski B, Bonnet P, Bryce RA. Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics. Journal of Chemical Information and Modeling. 54: 2764-75. PMID 25178116 DOI: 10.1021/ci5003334 |
0.328 |
|
| 2010 |
Bruce NJ, Bryce RA. Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories. Journal of Chemical Theory and Computation. 6: 1925-30. PMID 26615921 DOI: 10.1021/ct100060t |
0.304 |
|
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