Related references
Note: Only part of the references are listed.REFMAC5 for the refinement of macromolecular crystal structures
Garib N. Murshudov et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2011)
Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals
Michael J. Schnieders et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
The Energy Computation Paradox and ab initio Protein Folding
John C. Faver et al.
PLOS ONE (2011)
Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration
Timothy D. Fenn et al.
STRUCTURE (2011)
MolProbity: all-atom structure validation for macromolecular crystallography
Vincent B. Chen et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
A smooth and differentiable bulk-solvent model for macromolecular diffraction
T. D. Fenn et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins
Dale E. Tronrud et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
On the complexity of Engh and Huber refinement restraints: the angle τ as example
Wouter G. Touw et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
Polarizable Atomic Multipole X-Ray Refinement: Hydration Geometry and Application to Macromolecules
Timothy D. Fenn et al.
BIOPHYSICAL JOURNAL (2010)
Current Status of the AMOEBA Polarizable Force Field
Jay W. Ponder et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Super-resolution biomolecular crystallography with low-resolution data
Gunnar F. Schroeder et al.
NATURE (2010)
High-resolution NMR structure of an RNA model system: the 14-mer cUUCGg tetraloop hairpin RNA
Senada Nozinovic et al.
NUCLEIC ACIDS RESEARCH (2010)
From Poor Resolution to Rich Insight
Randy J. Read
STRUCTURE (2010)
Polarizable atomic multipole X-ray refinement: application to peptide crystals
Michael J. Schnieders et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2009)
Conformation Dependence of Backbone Geometry in Proteins
Donald S. Berkholz et al.
STRUCTURE (2009)
Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications
Pedro E. M. Lopes et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
Calculation of protein-ligand binding free energy by using a polarizable potential
Dian Jiao et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Strong and weak hydrogen bonds in drug-DNA complexes: A statistical analysis
Sunil K. Panigrahi et al.
JOURNAL OF BIOSCIENCES (2007)
Evaluating protein structures determined by structural genomics consortia
Aneerban Bhattacharya et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2007)
Weighting of experimental evidence in macromolecular structure determination
M Habeck et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
A robust bulk-solvent correction and anisotropic scaling procedure
PV Afonine et al.
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY (2005)
Likelihood weighting of partial structure factors using spline coefficients
K Cowtan
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2005)
Temperature and pressure dependence of the AMOEBA water model
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
REFMAC5 dictionary:: organization of prior chemical knowledge and guidelines for its use
AA Vagin et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Liking likelihood
AJ McCoy
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY (2004)
Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations
C Sagui et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
AV Morozov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Estimation of weights and validation: a marginal likelihood approach
AA Lebedev et al.
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY (2003)
Polarizable atomic multipole water model for molecular mechanics simulation
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Refinement of protein structures in explicit solvent
JP Linge et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2003)
Generic representation and evaluation of properties as a function of position in reciprocal space
K Cowtan
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2002)
An improved hydrogen bond potential: Impact on medium resolution protein structures
F Fabiola et al.
PROTEIN SCIENCE (2002)
Twist and shear in β-sheets and β-ribbons
BK Ho et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)