Chemical shifts in biomolecules

por Case, David A.
Publicado 2013

Using quantum chemistry to estimate chemical shifts in biomolecules

por Case, David A.
Publicado en Biophys Chem (2020)

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

por Case, David A., Fantino, Edmund
Publicado 1981

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

por Fantino, Edmund, Case, David A.
Publicado 1983

Calculation of Chemical Shift Anisotropy in Proteins

por Tang, Sishi, Case, David A.
Publicado 2011

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

por Cerutti, David S., Case, David A.
Publicado 2010

Evaluation of DNA Force Fields in Implicit Solvation

por Gaillard, Thomas, Case, David A.
Publicado 2011

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

por Xia, Junchao, Case, David A.
Publicado 2011

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

por Xia, Junchao, Case, David A.
Publicado 2011

Molecular Dynamics Simulations of Macromolecular Crystals

por Cerutti, David S., Case, David A.
Publicado en Wiley Interdiscip Rev Comput Mol Sci (2018)

Multiscale modeling of nucleic acids: insights into DNA flexibility

por Bomble, Yannick J., Case, David A.
Publicado 2008

Twenty-five years of nucleic acid simulations

por Cheatham, Thomas E., Case, David A.
Publicado 2013

Generalized Born Implicit Solvent Models for Biomolecules

por Onufriev, Alexey V., Case, David A.
Publicado en Annu Rev Biophys (2019)

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

por Samuel, Premila P., Case, David A.
Publicado en Biochemistry (2020)

A novel method for finding tRNA genes

por TSUI, VICKIE, MACKE, TOM, CASE, DAVID A.
Publicado 2003

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

por Pelmenschikov, Vladimir, Case, David A., Noodleman, Louis
Publicado 2008

Direct simulation of electron transfer reactions in DNA radical cations

por Steinbrecher, Thomas, Koslowski, Thorsten, Case, David A.
Publicado 2008

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

por Wong, Vance, Case, David A., Szabo, Attila
Publicado 2009

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

por Steinbrecher, Thomas, Joung, In Suk, Case, David A.
Publicado 2011

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

por Joung, In Suk, Luchko, Tyler, Case, David A.
Publicado 2013