Chemical shifts in biomolecules

Autor Case, David A.
Vydáno 2013

Using quantum chemistry to estimate chemical shifts in biomolecules

Autor Case, David A.
Vydáno v Biophys Chem (2020)

The delay-reduction hypothesis of conditioned reinforcement and punishment: Observing behavior

Autor Case, David A., Fantino, Edmund
Vydáno 1981

Human observing: Maintained by stimuli correlated with reinforcement but not extinction

Autor Fantino, Edmund, Case, David A.
Vydáno 1983

Calculation of Chemical Shift Anisotropy in Proteins

Autor Tang, Sishi, Case, David A.
Vydáno 2011

Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle—mesh problem

Autor Cerutti, David S., Case, David A.
Vydáno 2010

Evaluation of DNA Force Fields in Implicit Solvation

Autor Gaillard, Thomas, Case, David A.
Vydáno 2011

Sucrose in Aqueous Solution Revisited: 1. Molecular Dynamics Simulations and Direct and Indirect Dipolar Coupling Analysis

Autor Xia, Junchao, Case, David A.
Vydáno 2011

Sucrose in Aqueous Solution Revisited: 2. Adaptively Biased Molecular Dynamics Simulations and Computational Analysis of NMR Relaxation

Autor Xia, Junchao, Case, David A.
Vydáno 2011

Molecular Dynamics Simulations of Macromolecular Crystals

Autor Cerutti, David S., Case, David A.
Vydáno v Wiley Interdiscip Rev Comput Mol Sci (2018)

Multiscale modeling of nucleic acids: insights into DNA flexibility

Autor Bomble, Yannick J., Case, David A.
Vydáno 2008

Twenty-five years of nucleic acid simulations

Autor Cheatham, Thomas E., Case, David A.
Vydáno 2013

Generalized Born Implicit Solvent Models for Biomolecules

Autor Onufriev, Alexey V., Case, David A.
Vydáno v Annu Rev Biophys (2019)

Atomistic simulations of heme dissociation pathways in human methemoglobins reveal hidden intermediates

Autor Samuel, Premila P., Case, David A.
Vydáno v Biochemistry (2020)

A novel method for finding tRNA genes

Autor TSUI, VICKIE, MACKE, TOM, CASE, DAVID A.
Vydáno 2003

Ligand-bound S = 1/2 FeMo-Cofactor of Nitrogenase: Hyperfine Interaction Analysis and Implication for the Central Ligand X Identity

Autor Pelmenschikov, Vladimir, Case, David A., Noodleman, Louis
Vydáno 2008

Direct simulation of electron transfer reactions in DNA radical cations

Autor Steinbrecher, Thomas, Koslowski, Thorsten, Case, David A.
Vydáno 2008

Influence of the coupling of interdomain and overall motions on NMR relaxation

Autor Wong, Vance, Case, David A., Szabo, Attila
Vydáno 2009

Soft-Core Potentials in Thermodynamic Integration. Comparing One- and Two-Step Transformations

Autor Steinbrecher, Thomas, Joung, In Suk, Case, David A.
Vydáno 2011

Simple electrolyte solutions: Comparison of DRISM and molecular dynamics results for alkali halide solutions

Autor Joung, In Suk, Luchko, Tyler, Case, David A.
Vydáno 2013