Human immunoglobulin E flexes between acutely bent and extended conformations

IgG2 Fc structure and the dynamic features of the IgG CH2–CH3 interface

(2013) Alexey Teplyakov et al.   MOLECULAR IMMUNOLOGY

High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation

(2013) R. Muller et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Fluorescent Biosensor Reveals Conformational Changes in Human Immunoglobulin E Fc

(2012) James Hunt et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Accelerated disassembly of IgE–receptor complexes by a disruptive macromolecular inhibitor

(2012) Beomkyu Kim et al.   NATURE

Entropy-enthalpy transduction caused by conformational shifts can obscure the forces driving protein-ligand binding

(2012) A. T. Fenley et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure of IgE bound to its B-cell receptor CD23 reveals a mechanism of reciprocal allosteric inhibition with high affinity receptor Fc RI

(2012) B. Dhaliwal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Biomolecular dynamics: order–disorder transitions and energy landscapes

(2012) Paul C Whitford et al.   REPORTS ON PROGRESS IN PHYSICS

The Phenix software for automated determination of macromolecular structures

(2011) Paul D. Adams et al.   METHODS

Conformational changes in IgE contribute to its uniquely slow dissociation rate from receptor FcɛRI

(2011) Mary D Holdom et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Metadynamics

(2011) Alessandro Barducci et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Connecting Energy Landscapes with Experimental Rates for Aminoacyl-tRNA Accommodation in the Ribosome

(2010) Paul C. Whitford et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Distinct conformational states of HIV-1 gp41 are recognized by neutralizing and non-neutralizing antibodies

(2010) Gary Frey et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Metadynamics convergence law in a multidimensional system

(2010) Yanier Crespo et al.   PHYSICAL REVIEW E

Structural and Functional Studies of Igαβ and Its Assembly with the B Cell Antigen Receptor

(2010) Sergei Radaev et al.   STRUCTURE

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

The molecular assembly and organization of signaling active B-cell receptor oligomers

(2009) Pavel Tolar et al.   IMMUNOLOGICAL REVIEWS

xia2: an expert system for macromolecular crystallography data reduction

(2009) G. Winter   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Conformational Flexibility in Immunoglobulin E-Fc3–4 Revealed in Multiple Crystal Forms

(2009) Beth A. Wurzburg et al.   JOURNAL OF MOLECULAR BIOLOGY

Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin

(2009) T. Wlodarski et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The human IgM pentamer is a mushroom-shaped molecule with a flexural bias

(2009) D. M. Czajkowsky et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CHAINSAW: a program for mutating pdb files used as templates in molecular replacement

(2008) Norman Stein   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Imaging proteins in live mammalian cells with biotin ligase and monovalent streptavidin

(2008) Mark Howarth et al.   Nature Protocols

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS