Matthew P. Jacobson - researchr alias

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Viewing Publication 1 - 19 from 19

2016

Non-degradative Ubiquitination of Protein KinasesK. Aurelia Ball, Jeffrey R. Johnson, Mary K. Lewinski, John Guatelli, Erik Verschueren, Nevan J. Krogan, Matthew P. Jacobson. ploscb, 12(6), 2016. [doi]

Simple Predictive Models of Passive Membrane Permeability Incorporating Size-Dependent Membrane-Water PartitionSiegfried S. F. Leung, Daniel Sindhikara, Matthew P. Jacobson. jcisd, 56(5):924-929, 2016. [doi]

Defining the Product Chemical Space of Monoterpenoid SynthasesBo-Xue Tian, C. Dale Poulter, Matthew P. Jacobson. ploscb, 12(8), 2016. [doi]

Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability PredictionQin Wang, Simone Sciabola, Gabriela Barreiro, Xinjun Hou, Guoyun Bai, Michael J. Shapiro, Frank Koehn, Anabella Villalobos, Matthew P. Jacobson. jcisd, 56(11):2194-2206, 2016. [doi]

2014

Prediction of Substrates for Glutathione Transferases by Covalent DockingGuang Qiang Dong, Sara Calhoun, Hao Fan, Chakrapani Kalyanaraman, Megan C. Branch, Susan T. Mashiyama, Nir London, Matthew P. Jacobson, Patricia C. Babbitt, Brian K. Shoichet, Richard N. Armstrong, Andrej Sali. jcisd, 54(6):1687-1699, 2014. [doi]

The Free Energy Profile of Tubulin Straight-Bent Conformational Changes, with Implications for Microtubule Assembly and Drug DiscoveryLili X. Peng, Monica T. Hsu, Massimiliano Bonomi, David A. Agard, Matthew P. Jacobson. ploscb, 10(2), 2014. [doi]

Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking ApproachBo-Xue Tian, Frank H. Wallrapp, Gemma L. Holliday, Jeng-Yeong Chow, Patricia C. Babbitt, C. Dale Poulter, Matthew P. Jacobson. ploscb, 10(10), 2014. [doi]

2013

Discovery of new enzymes and metabolic pathways by using structure and genome contextSuwen Zhao, Ritesh Kumar, Ayano Sakai, Matthew W. Vetting, B. McKay Wood, Shoshana D. Brown, Jeffery B. Bonanno, Brandan S. Hillerich, Ronald D. Seidel, Patricia C. Babbitt, Steven C. Almo, Jonathan V. Sweedler, John A. Gerlt, John E. Cronan, Matthew P. Jacobson. nature, 502(7473):698-702, 2013. [doi]

2012

Testing Physical Models of Passive Membrane PermeationSiegfried S. F. Leung, Jona Mijalkovic, Kenneth W. Borrelli, Matthew P. Jacobson. jcisd, 52(6):1621-1636, 2012. [doi]

2011

2010

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WWFaruck Morcos, Santanu Chatterjee, Christopher L. McClendon, Paul Brenner, Roberto López-Rendón, John Zintsmaster, Mária Ercsey-Ravasz, Christopher R. Sweet, Matthew P. Jacobson, Jeffrey W. Peng, Jesús A. Izaguirre. ploscb, 6(12), 2010. [doi]

2007

An atomistic model of passive membrane permeability: application to a series of FDA approved drugsChakrapani Kalyanaraman, Matthew P. Jacobson. jcamd, 21(12):675-679, 2007. [doi]

2006

Conformational Changes in Protein Loops and Helices Induced by Post-Translational PhosphorylationEli S. Groban, Arjun Narayanan, Matthew P. Jacobson. ploscb, 2(4), 2006. [doi]

Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual ScreeningNiu Huang, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson. jcisd, 46(1):243-253, 2006. [doi]

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomoleculesZhiyun Yu, Matthew P. Jacobson, Richard A. Friesner. jcc, 27(1):72-89, 2006. [doi]

2004

A kinematic view of loop closureEvangelos A. Coutsias, Chaok Seok, Matthew P. Jacobson, Ken A. Dill. jcc, 25(4):510-528, 2004. [doi]

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