Scoria: a Python module for manipulating 3D molecular data

Structure of the Shroom-Rho Kinase Complex Reveals a Binding Interface with Monomeric Shroom That Regulates Cell Morphology and Stimulates Kinase Activity

(2016) Jenna K. Zalewski et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Developmental Origins for Kidney Disease Due to Shroom3 Deficiency

(2016) H. Khalili et al.   JOURNAL OF THE AMERICAN SOCIETY OF NEPHROLOGY

Targeted inhibition of the Shroom3–Rho kinase protein–protein interaction circumvents Nogo66 to promote axon outgrowth

(2015) Heather M Dickson et al.   BMC NEUROSCIENCE

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Loss-of-function de novo mutations play an important role in severe human neural tube defects

(2015) Philippe Lemay et al.   JOURNAL OF MEDICAL GENETICS

Double Xp11.22 deletion including SHROOM4 and CLCN5 associated with severe psychomotor retardation and Dent disease

(2015) Narjes Armanet et al.   Molecular Cytogenetics

Identification of candidate susceptibility genes for colorectal cancer through eQTL analysis

(2014) Adria Closa et al.   CARCINOGENESIS

Weighted Implementation of Suboptimal Paths (WISP): An Optimized Algorithm and Tool for Dynamical Network Analysis

(2014) Adam T. Van Wart et al.   Journal of Chemical Theory and Computation

POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics

(2014) Jacob D. Durrant et al.   Journal of Chemical Theory and Computation

LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry

(2014) Jacob D. Durrant et al.   PLoS Computational Biology

The interaction between Shroom3 and Rho-kinase is required for neural tube morphogenesis in mice

(2014) D. Das et al.   Biology Open

Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening

(2013) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

AutoGrow 3.0: An improved algorithm for chemically tractable, semi-automated protein inhibitor design

(2013) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structure of a Highly Conserved Domain of Rock1 Required for Shroom-Mediated Regulation of Cell Morphology

(2013) Swarna Mohan et al.   PLoS One

LigMerge: A Fast Algorithm to Generate Models of Novel Potential Ligands from Sets of Known Binders

(2012) Steffen Lindert et al.   Chemical Biology & Drug Design

Structure of Shroom domain 2 reveals a three-segmented coiled-coil required for dimerization, Rock binding, and apical constriction

(2012) Swarna Mohan et al.   MOLECULAR BIOLOGY OF THE CELL

Common variation near CDKN1A, POLD3 and SHROOM2 influences colorectal cancer risk

(2012) Malcolm G Dunlop et al.   NATURE GENETICS

AutoClickChem: Click Chemistry in Silico

(2012) Jacob D. Durrant et al.   PLoS Computational Biology

CrystalDock: A Novel Approach to Fragment-Based Drug Design

(2011) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

(2011) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

HBonanza: A computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis

(2011) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

BINANA: A novel algorithm for ligand-binding characterization

(2011) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes

(2010) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

POVME: An algorithm for measuring binding-pocket volumes

(2010) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

AutoGrow: A Novel Algorithm for Protein Inhibitor Design

(2009) Jacob D. Durrant et al.   Chemical Biology & Drug Design

Multiple loci associated with indices of renal function and chronic kidney disease

(2009) Anna Köttgen et al.   NATURE GENETICS

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B