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Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

Molecular Spectra and Molecular Structure

Teoría atómico-molecular

Synthesis, structure, and spectroscopic properties of copper(<scp>II</scp>) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper(<scp>II</scp>) perchlorate

<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography

<i>Ab initio</i>molecular dynamics for liquid metals

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Analysis of molecular variance inferred from metric distances among DNA haplotypes: application to human mitochondrial DNA restriction data.

P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations

<i>Coot</i>: model-building tools for molecular graphics

<i>OLEX2</i>: a complete structure solution, refinement and analysis program

Detecting the number of clusters of individuals using the software <scp>structure</scp>: a simulation study

<i>Phaser</i>crystallographic software

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

Atoms in Molecules

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

Effect of the damping function in dispersion corrected density functional theory

Comparison of simple potential functions for simulating liquid water

Selective gas adsorption and separation in metal–organic frameworks

Revealing Noncovalent Interactions

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Biomolecules