Binding-Site Assessment by Virtual Fragment Screening

Por Huang, Niu, Jacobson, Matthew P.
Publicado em 2010

Studying enzyme-substrate specificity in silico: A case study of the E. coli glycolysis pathway

Por Kalyanaraman, Chakrapani, Jacobson, Matthew P.
Publicado em 2010

Predicting Efflux Ratios and Blood-Brain Barrier Penetration from Chemical Structure: Combining Passive Permeability with Active Efflux by P-Glycoprotein

Por Dolghih, Elena, Jacobson, Matthew P.
Publicado em 2012

In silico prediction of brain exposure: drug free fraction, unbound brain to plasma concentration ratio and equilibrium half-life

Por Spreafico, Morena, Jacobson, Matthew P.
Publicado em 2013

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

Por Groban, Eli S, Narayanan, Arjun, Jacobson, Matthew P
Publicado em 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

Por YU, ZHIYUN, JACOBSON, MATTHEW P., FRIESNER, RICHARD A.
Publicado em 2006

A New View of the Bacterial Cytosol Environment

Por Cossins, Benjamin P., Jacobson, Matthew P., Guallar, Victor
Publicado em 2011

A Structure-Based Model for Predicting Serum Albumin Binding

Por Lexa, Katrina W., Dolghih, Elena, Jacobson, Matthew P.
Publicado em 2014

Defining the Product Chemical Space of Monoterpenoid Synthases

Por Tian, Boxue, Poulter, C. Dale, Jacobson, Matthew P.
Publicado no PLoS Comput Biol (2016)

Deciphering the Code to Aminergic G-Protein Coupled Receptor Drug Design

Por Tan, Edwin S., Groban, Eli S., Jacobson, Matthew P., Scanlan, Thomas S.
Publicado em 2008

Antibodies as a model system for comparative model refinement

Por Sellers, Benjamin D., Nilmeier, Jerome P., Jacobson, Matthew P.
Publicado em 2010

Computer-aided antibody design

Por Kuroda, Daisuke, Shirai, Hiroki, Jacobson, Matthew P., Nakamura, Haruki
Publicado em 2012

Leveraging structure for enzyme function prediction: methods, opportunities and challenges

Por Jacobson, Matthew P., Kalyanaraman, Chakrapani, Zhao, Suwen, Tian, Boxue
Publicado em 2014

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking

Por Dolghih, Elena, Bryant, Clifford, Renslo, Adam R., Jacobson, Matthew P.
Publicado em 2011

Assessing protein loop flexibility by hierarchical Monte Carlo sampling

Por Nilmeier, Jerome, Hua, Lan, Coutsias, Evangelos A., Jacobson, Matthew P.
Publicado em 2011

Testing Physical Models of Passive Membrane Permeation

Por Leung, Siegfried S. F., Mijalkovic, Jona, Borrelli, Kenneth, Jacobson, Matthew P.
Publicado em 2012

Improving the species cross-reactivity of an antibody using computational design

Por Farady, Christopher J., Sellers, Benjamin D., Jacobson, Matthew P., Craik, Charles S.
Publicado em 2009

Automated Site Preparation in Physics-Based Rescoring of Receptor Ligand Complexes

Por Rapp, Chaya S., Schonbrun, Cheryl, Jacobson, Matthew P., Kalyanaraman, Chakrapani, Huang, Niu
Publicado em 2009

Comparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion

Por McClendon, Christopher L., Hua, Lan, Barreiro, abriela, Jacobson, Matthew P.
Publicado em 2012

Considering Protonation as a Post-translational Modification Regulating Protein Structure and Function

Por Schönichen, André, Webb, Bradley A., Jacobson, Matthew P., Barber, Diane L.
Publicado em 2013