Geant4—a simulation toolkit

S. Agostinelli, John E. Allison, J. Apostolakis, +121

Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment

EngineeringGeant4—a Simulation ToolkitNumerical SimulationComputational BiologyComputer Engineering +5

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel, +1

Journal of Chemical Theory and Computation

Cluster ComputingEngineeringMolecular BiologyComputational ChemistryScalable Molecular Simulation +19

Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds

Frank H. Allen, Olga Kennard, David J. Watson, +3

Journal of the Chemical Society Perkin Transactions 2

Materials ScienceX-ray CrystallographyAverage LengthsEngineeringNatural Sciences +11

Electrostatics of nanosystems: Application to microtubules and the ribosome

Nathan Baker, David Sept, Simpson Joseph, +2

Proceedings of the National Academy of Sciences

Poisson-boltzmann EquationBiophysical ModelingNanoscale SystemEngineeringNanomaterials +12

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

T. J. Dolinsky, Jens Erik Nielsen, J. Andrew McCammon, +1

Nucleic Acids Research

WHAT IF: A molecular modeling and drug design program

Gert Vriend

Journal of Molecular Graphics

Molecular PharmacologyDrug Design ProgramDrug DesignDrug DiscoveryMedicine +4

<i>Electron Energy-Loss Spectroscopy in the Electron Microscope</i>

R.F. Egerton, Dale E. Newbury

Physics Today

EngineeringElectron MicroscopyPhysicsMicroscopyNatural Sciences +13

EMAN2: An extensible image processing suite for electron microscopy

Guang Yi Tang, Liwei Peng, Philip R. Baldwin, +4

Journal of Structural Biology

Electron MicroscopyMicroscope Image ProcessingMicroscopyBiomedical ImagingElectron Microscope +2

Electron counting and beam-induced motion correction enable near-atomic-resolution single-particle cryo-EM

Xueming Li, Paul Mooney, Shawn Zheng, +5

Nature Methods

EngineeringPhysicsMicroscopyNatural SciencesCryogenics +8

The scattering of electrons by atoms and crystals. I. A new theoretical approach

J. M. Cowley, A. F. Moodie

Acta Crystallographica

EngineeringElectron DiffractionElectronic StructureElectron OpticElectron Physic +16