Synthesis, Characterization, and Simulation of Four-Armed Megamolecules

Design and Synthesis of Megamolecule Mimics of a Therapeutic Antibody

(2020) Justin A. Modica et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthetic Tuning of Domain Stoichiometry in Nanobody–Enzyme Megamolecules

(2020) Kevin J. Metcalf et al.   BIOCONJUGATE CHEMISTRY

Spin-Dependent Ionization of Chiral Molecular Films

(2019) John M. Abendroth et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic Resolution Insight into Sac7d Protein Binding to DNA and Associated Global Changes by Molecular Dynamics Simulations

(2019) Martin Zacharias   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An ultra-stable gold-coordinated protein cage displaying reversible assembly

(2019) Ali D. Malay et al.   NATURE

Controlling protein assembly on inorganic crystals through designed protein interfaces

(2019) Harley Pyles et al.   NATURE

Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses

(2019) Yoshitake Sakae et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Coiled coil protein origami: from modular design principles towards biotechnological applications

(2018) Fabio Lapenta et al.   CHEMICAL SOCIETY REVIEWS

The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations

(2018) Bin W. Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Synthesis of Cyclic Megamolecules

(2018) Justin A. Modica et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Driving Protein Conformational Changes with Light: Photoinduced Structural Rearrangement in a Heterobimetallic Oxidase

(2018) Pearson T. Maugeri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Engineering the entropy-driven free-energy landscape of a dynamic nanoporous protein assembly

(2018) Robert Alberstein et al.   Nature Chemistry

Developing a molecular dynamics force field for both folded and disordered protein states

(2018) Paul Robustelli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Auto-regulated Protein Assembly on a Supramolecular Scaffold

(2018) Martin L. Rennie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-Range Energy Transfer in Protein Megamolecules

(2018) Elijah L. Taylor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New tools for automated high-resolution cryo-EM structure determination in RELION-3

(2018) Jasenko Zivanov et al.   eLife

Design of coiled-coil protein-origami cages that self-assemble in vitro and in vivo

(2017) Ajasja Ljubetič et al.   NATURE BIOTECHNOLOGY

Structure and assembly of scalable porous protein cages

(2017) Eita Sasaki et al.   Nature Communications

Modular assembly of a protein nanotriangle using orthogonally interacting coiled coils

(2017) Won Min Park et al.   Scientific Reports

Orthogonal Protein Assembly on DNA Nanostructures Using Relaxases

(2016) Sandra Sagredo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrastructural Analysis of Self-Associated RyR2s

(2016) Vanessa Cabra et al.   BIOPHYSICAL JOURNAL

Protein Assembly: Versatile Approaches to Construct Highly Ordered Nanostructures

(2016) Quan Luo et al.   CHEMICAL REVIEWS

Radiolabeling of DOTA-like conjugated peptides with generator-produced 68Ga and using NaCl-based cationic elution method

(2016) Dirk Mueller et al.   Nature Protocols

Flexible, symmetry-directed approach to assembling protein cages

(2016) Aaron Sciore et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Impact of membrane lipid composition on the structure and stability of the transmembrane domain of amyloid precursor protein

(2016) Laura Dominguez et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantitative Packaging of Active Enzymes into a Protein Cage

(2015) Yusuke Azuma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

(2015) Robert T. McGibbon et al.   BIOPHYSICAL JOURNAL

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

CTFFIND4: Fast and accurate defocus estimation from electron micrographs

(2015) Alexis Rohou et al.   JOURNAL OF STRUCTURAL BIOLOGY

SNAP-Tag-Reactive Lipid Anchors Enable Targeted and Spatiotemporally Controlled Localization of Proteins to Phospholipid Membranes

(2015) Andrew K. Rudd et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Green fluorescent protein nanopolygons as monodisperse supramolecular assemblies of functional proteins with defined valency

(2015) Young Eun Kim et al.   Nature Communications

Three-Dimensional Protein Networks Assembled by Two-Photon Activation

(2014) Volker Gatterdam et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural Heterogeneity in Transmembrane Amyloid Precursor Protein Homodimer Is a Consequence of Environmental Selection

(2014) Laura Dominguez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Peptide receptor radionuclide therapy with 90Y-DOTATATE/90Y-DOTATOC in patients with progressive metastatic neuroendocrine tumours: assessment of response, survival and toxicity

(2013) S Vinjamuri et al.   BRITISH JOURNAL OF CANCER

The ubiquitous DOTA and its derivatives: the impact of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid on biomedical imaging

(2013) Graeme J. Stasiuk et al.   CHEMICAL COMMUNICATIONS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Nanomechanics of HaloTag Tethers

(2013) Ionel Popa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum Dot Targeting with Lipoic Acid Ligase and HaloTag for Single-Molecule Imaging on Living Cells

(2012) Daniel S. Liu et al.   ACS Nano

Developing an antibody-binding protein cage as a molecular recognition drug modular nanoplatform

(2012) Hyo Jin Kang et al.   BIOMATERIALS

Modular Assembly of Protein Building Blocks To Create Precisely Defined Megamolecules

(2012) Justin A. Modica et al.   CHEMBIOCHEM

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

(2012) Scott Le Grand et al.   COMPUTER PHYSICS COMMUNICATIONS

RELION: Implementation of a Bayesian approach to cryo-EM structure determination

(2012) Sjors H.W. Scheres   JOURNAL OF STRUCTURAL BIOLOGY

Structure of a 16-nm Cage Designed by Using Protein Oligomers

(2012) Y.-T. Lai et al.   SCIENCE

Bioconjugation of CdSe/ZnS nanoparticles with SNAP tagged proteins

(2011) Andre Petershans et al.   CHEMICAL COMMUNICATIONS

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Reporter Protein-Targeted Probes for Magnetic Resonance Imaging

(2011) Renee C. Strauch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Solid-State Structural Characterization of Cutinase-ECE-Pincer-Metal Hybrids

(2009) Lucy Rutten et al.   CHEMISTRY-A EUROPEAN JOURNAL

Deformation and failure of protein materials in physiologically extreme conditions and disease

(2009) Markus J. Buehler et al.   NATURE MATERIALS

Protein-Based Nanomedicine Platforms for Drug Delivery

(2009) Aihui MaHam et al.   Small