Matthew P. Jacobson

According to our database, Matthew P. Jacobson authored at least 19 papers between 2004 and 2016.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2016

Defining the Product Chemical Space of Monoterpenoid Synthases.

Bo-Xue Tian, C. Dale Poulter, Matthew P. Jacobson

PLoS Comput. Biol., 2016

Non-degradative Ubiquitination of Protein Kinases.

K. Aurelia Ball, Jeffrey R. Johnson, Mary K. Lewinski, John Guatelli, Erik Verschueren, Nevan J. Krogan, Matthew P. Jacobson

PLoS Comput. Biol., 2016

Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.

Qin Wang, Simone Sciabola, Gabriela Barreiro, Xinjun Hou, Guoyun Bai, Michael J. Shapiro, Frank Koehn, Anabella Villalobos, Matthew P. Jacobson

J. Chem. Inf. Model., 2016

Simple Predictive Models of Passive Membrane Permeability Incorporating Size-Dependent Membrane-Water Partition.

Siegfried S. F. Leung, Daniel J. Sindhikara, Matthew P. Jacobson

J. Chem. Inf. Model., 2016

2014

Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach.

Bo-Xue Tian, Frank H. Wallrapp, Gemma L. Holliday, Jeng-Yeong Chow, Patricia C. Babbitt, C. Dale Poulter, Matthew P. Jacobson

PLoS Comput. Biol., 2014

The Free Energy Profile of Tubulin Straight-Bent Conformational Changes, with Implications for Microtubule Assembly and Drug Discovery.

Lili X. Peng, Monica T. Hsu, Massimiliano Bonomi, David A. Agard, Matthew P. Jacobson

PLoS Comput. Biol., 2014

Prediction of Substrates for Glutathione Transferases by Covalent Docking.

Guang 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

J. Chem. Inf. Model., 2014

2013

Discovery of new enzymes and metabolic pathways by using structure and genome context.

Suwen 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

Nat., 2013

2012

Testing Physical Models of Passive Membrane Permeation.

Siegfried S. F. Leung, Jona Mijalkovic, Kenneth W. Borrelli, Matthew P. Jacobson

J. Chem. Inf. Model., 2012

2011

Phosphorylation of the Arp2 Subunit Relieves Auto-inhibitory Interactions for Arp2/3 Complex Activation.

Arjun Narayanan, Lawrence L. LeClaire III, Diane L. Barber, Matthew P. Jacobson

PLoS Comput. Biol., 2011

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking.

Elena Dolghih, Clifford Bryant, Adam R. Renslo, Matthew P. Jacobson

PLoS Comput. Biol., 2011

A New View of the Bacterial Cytosol Environment.

Benjamin P. Cossins, Matthew P. Jacobson, Victor Guallar

PLoS Comput. Biol., 2011

A Molecular Mechanics Approach to Modeling Protein-Ligand Interactions: Relative Binding Affinities in Congeneric Series.

Chaya Rapp, Chakrapani Kalyanaraman, Aviva Schiffmiller, Esther Leah Schoenbrun, Matthew P. Jacobson

J. Chem. Inf. Model., 2011

2010

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW.

Faruck Morcos, Santanu Chatterjee, Christopher L. McClendon, Paul R. Brenner, Roberto López-Rendón, John Zintsmaster, Mária Ercsey-Ravasz, Christopher R. Sweet, Matthew P. Jacobson, Jeffrey W. Peng, Jesús A. Izaguirre

PLoS Comput. Biol., 2010

2007

An atomistic model of passive membrane permeability: application to a series of FDA approved drugs.

Chakrapani Kalyanaraman, Matthew P. Jacobson

J. Comput. Aided Mol. Des., 2007

2006

Conformational Changes in Protein Loops and Helices Induced by Post-Translational Phosphorylation.

Eli S. Groban, Arjun Narayanan, Matthew P. Jacobson

PLoS Comput. Biol., 2006

Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening.

Niu Huang, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson

J. Chem. Inf. Model., 2006

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules.

Zhiyun Yu, Matthew P. Jacobson, Richard A. Friesner

J. Comput. Chem., 2006

2004

A kinematic view of loop closure.

Evangelos A. Coutsias, Chaok Seok, Matthew P. Jacobson, Ken A. Dill

J. Comput. Chem., 2004