A comparison of weighted ensemble and Markov state model methodologies

Por Feng, Haoyun, Costaouec, Ronan, Darve, Eric, Izaguirre, Jesús A.
Publicado no J Chem Phys (2015)

A parallel implementation of the Cellular Potts Model for simulation of cell-based morphogenesis

Por Chen, Nan, Glazier, James A., Izaguirre, Jesús A., Alber, Mark S.
Publicado em 2007

Normal mode partitioning of Langevin dynamics for biomolecules

Por Sweet, Christopher R., Petrone, Paula, Pande, Vijay S., Izaguirre, Jesús A.
Publicado em 2008

A separable shadow Hamiltonian hybrid Monte Carlo method

Por Sweet, Christopher R., Hampton, Scott S., Skeel, Robert D., Izaguirre, Jesús A.
Publicado em 2009

Evaluation of conformational changes in diabetes-associated mutation in insulin A chain: A molecular dynamics study

Por Kim, Yong Hwan, Kastner, Kevin, Abdul-Wahid, Badi, Izaguirre, Jesús A.
Publicado no Proteins (2015)

Long Timestep Molecular Dynamics on the Graphical Processing Unit

Por Sweet, James C., Nowling, Ronald J., Cickovski, Trevor, Sweet, Christopher R., Pande, Vijay S., Izaguirre, Jesús A.
Publicado em 2013

AWE-WQ: Fast-Forwarding Molecular Dynamics Using the Accelerated Weighted Ensemble

Por Abdul-Wahid, Badi’, Feng, Haoyun, Rajan, Dinesh, Costaouec, Ronan, Darve, Eric, Thain, Douglas, Izaguirre, Jesús A.
Publicado em 2014

Folding Proteins at 500 ns/hour with Work Queue

Por Abdul-Wahid, Badi’, Yu, Li, Rajan, Dinesh, Feng, Haoyun, Darve, Eric, Thain, Douglas, Izaguirre, Jesús A.
Publicado no Proc IEEE Int Conf Escience (2012)

Characterization of the Anopheles gambiae octopamine receptor and discovery of potential agonists and antagonists using a combined computational-experimental approach

Por Kastner, Kevin W, Shoue, Douglas A, Estiu, Guillermina L, Wolford, Julia, Fuerst, Megan F, Markley, Lowell D, Izaguirre, Jesús A, McDowell, Mary Ann
Publicado no Malar J (2014)

Identification of novel arthropod vector G protein-coupled receptors

Por Nowling, Ronald J, Abrudan, Jenica L, Shoue, Douglas A, Abdul-Wahid, Badi’, Wadsworth, Mariha, Stayback, Gwen, Collins, Frank H, McDowell, Mary Ann, Izaguirre, Jesús A
Publicado em 2013

From Genes to Organisms Via the Cell A Problem-Solving Environment for Multicellular Development

Por Cickovski, Trevor, Aras, Kedar, Alber, Mark S., Izaguirre, Jesus A., Swat, Maciej, Glazier, James A., Merks, Roeland M.H., Glimm, Tilmann, Hentschel, H. George E., Newman, Stuart A.
Publicado em 2007

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

Por Morcos, Faruck, Chatterjee, Santanu, McClendon, Christopher L., Brenner, Paul R., López-Rendón, Roberto, Zintsmaster, John, Ercsey-Ravasz, Maria, Sweet, Christopher R., Jacobson, Matthew P., Peng, Jeffrey W., Izaguirre, Jesús A.
Publicado em 2010