A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation

The Influence of Ser-154, Cys-113, and the Phosphorylated Threonine Residue on the Catalytic Reaction Mechanism of Pin1

(2014) Esteban Vöhringer-Martinez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

FTSJ2, a Heat Shock-Inducible Mitochondrial Protein, Suppresses Cell Invasion and Migration

(2014) Cheng-Wei Lai et al.   PLoS One

The structure of human leucine carboxyl methyltransferase 1 that regulates protein phosphatase PP2A

(2010) Meng-Lin Tsai et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Reparameterization of RNA χ Torsion Parameters for the AMBER Force Field and Comparison to NMR Spectra for Cytidine and Uridine

(2010) Ilyas Yildirim et al.   Journal of Chemical Theory and Computation

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonlocal Helix Formation Is Key to Understanding S-Adenosylmethionine-1 Riboswitch Function

(2009) Paul C. Whitford et al.   BIOPHYSICAL JOURNAL

Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges

(2009) Sofie Van Damme et al.   Journal of Chemical Theory and Computation

A mechanism for S-adenosyl methionine assisted formation of a riboswitch conformation: a small molecule with a strong arm

(2009) Wei Huang et al.   NUCLEIC ACIDS RESEARCH

Dynamic Allostery in the Methionine Repressor Revealed by Force Distribution Analysis

(2009) Wolfram Stacklies et al.   PLoS Computational Biology

How Do SET-Domain Protein Lysine Methyltransferases Achieve the Methylation State Specificity? Revisited by Ab Initio QM/MM Molecular Dynamics Simulations

(2008) Po Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY