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A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.

artículo científico publicado en 2016

Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing

artículo científico publicado en 2015

Cellular taxonomy and spatial organization of the murine ventral posterior hypothalamus

artículo científico publicado en 2020

Coevolutionary Landscape of Kinase Family Proteins: Sequence Probabilities and Functional Motifs.

artículo científico publicado en 2018

Cross-Species Single-Cell Analysis of Pancreatic Ductal Adenocarcinoma Reveals Antigen-Presenting Cancer-Associated Fibroblasts

scientific article published on 13 June 2019

Identification of EOMES-expressing spermatogonial stem cells and their regulation by PLZF.

artículo científico publicado en 2019

Identification of a T follicular helper cell subset that drives anaphylactic IgE

scientific article published on 01 August 2019

Improving Prediction Accuracy of Binding Free Energies and Poses of HIV Integrase Complexes Using the Binding Energy Distribution Analysis Method with Flattening Potentials

artículo científico publicado en 2018

Inference of Epistatic Effects Leading to Entrenchment and Drug Resistance in HIV-1 Protease.

artículo científico publicado en 2017

Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.

artículo científico publicado en 2016

Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis

artículo científico publicado en 2015

Mapping systemic lupus erythematosus heterogeneity at the single-cell level

artículo científico publicado en 2020

Potts Hamiltonian models of protein co-variation, free energy landscapes, and evolutionary fitness.

artículo científico publicado en 2016

Single-cell analysis of human glioma and immune cells identifies S100A4 as an immunotherapy target

artículo científico publicado en 2022

Structural propensities of kinase family proteins from a Potts model of residue co-variation.

artículo científico publicado en 2016

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