Publications by authors named "Thomas Darden"

Claim this Profile
R
Recent Developments in Amber Biomolecular Simulations.
David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, Thomas A Darden, Robert E Duke

J Chem Inf Model· August 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Efficient and scalable electrostatics via spherical grids and treecode summation.
Andrew C Simmonett, Bernard R Brooks, Thomas A Darden

J Chem Phys· June 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential.
Hatice Gökcan, Eric Kratz, Thomas A Darden, Jean-Philip Piquemal, G Andrés Cisneros

J Phys Chem Lett· June 2018

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.
Robin Chaudret, Nohad Gresh, Christophe Narth, Louis Lagardère, Thomas A Darden

J Phys Chem A· September 2014

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.
Dennis M Elking, Lalith Perera, Robert Duke, Thomas Darden, Lee G Pedersen

J Comput Chem· November 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Atomic forces for geometry-dependent point multipole and gaussian multipole models.
Dennis M Elking, Lalith Perera, Robert Duke, Thomas Darden, Lee G Pedersen

J Comput Chem· November 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
Gaussian Multipole Model (GMM).
Dennis M Elking, G Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden, Lee G Pedersen

J Chem Theory Comput· January 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Conformations and free energy landscapes of polyproline peptides.
Mahmoud Moradi, Volodymyr Babin, Christopher Roland, Thomas A Darden, Celeste Sagui

Proc Natl Acad Sci U S A· December 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Structural characterization of the conformational change in calbindin-D28k upon calcium binding using differential surface modification analyzed by mass spectrometry.
Carey A Hobbs, Leesa J Deterding, Lalith Perera, Benjamin G Bobay, Richele J Thompson, Thomas A Darden

Biochemistry· September 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility.
David S Cerutti, Robert E Duke, Thomas A Darden, Terry P Lybrand

J Chem Theory Comput· September 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Reaction mechanism of the epsilon subunit of E. coli DNA polymerase III: insights into active site metal coordination and catalytically significant residues.
G Andrés Cisneros, Lalith Perera, Roel M Schaaper, Lars C Pedersen, Robert E London, Thomas A Darden

J Am Chem Soc· February 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Identification of a specific motif of the DSS1 protein required for proteasome interaction and p53 protein degradation.
Sung-Jen Wei, Jason G Williams, Hong Dang, Thomas A Darden, Bryan L Betz

J Mol Biol· November 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
NMDA receptor activation by HIV-Tat protein is clade dependent.
Wenxue Li, Yan Huang, Rollie Reid, Joseph Steiner, Tanya Malpica-Llanos, Thomas A Darden

J Neurosci· November 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Calculation of protein-ligand binding free energy by using a polarizable potential.
Dian Jiao, Pavel A Golubkov, Thomas A Darden, Pengyu Ren

Proc Natl Acad Sci U S A· April 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
Numerical fitting of molecular properties to Hermite Gaussians.
G Andrés Cisneros, Dennis Elking, Jean-Philip Piquemal, Thomas A Darden

J Phys Chem A· November 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up Strategy.
Nohad Gresh, G Andrés Cisneros, Thomas A Darden, Jean-Philip Piquemal

J Chem Theory Comput· November 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The electrostatic surface term: (I) periodic systems.
Henry David Herce, Angel Enrique Garcia, Thomas Darden

J Chem Phys· March 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Mapping the dimer interface in the C-terminal domains of the yeast MLH1-PMS1 heterodimer.
Jenny M Cutalo, Thomas A Darden, Thomas A Kunkel, Kenneth B Tomer

Biochemistry· December 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Avian multiple inositol polyphosphate phosphatase is an active phytase that can be engineered to help ameliorate the planet's "phosphate crisis".
Jaiesoon Cho, Kuicheon Choi, Thomas Darden, Paul R Reynolds, James N Petitte

J Biotechnol· November 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods.
G Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden

J Chem Phys· November 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections.
Volodymyr Babin, Christopher Roland, Thomas A Darden, Celeste Sagui

J Chem Phys· November 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential.
Dian Jiao, Christopher King, Alan Grossfield, Thomas A Darden, Pengyu Ren

J Phys Chem B· September 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure.
Jean-Philip Piquemal, Lalith Perera, G Andrés Cisneros, Pengyu Ren, Lee G Pedersen, Thomas A Darden

J Chem Phys· August 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum mechanics/molecular mechanics electrostatic embedding with continuous and discrete functions.
G Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden

J Phys Chem B· July 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Molecular dynamics simulations of DNA with polarizable force fields: convergence of an ideal B-DNA structure to the crystallographic structure.
Volodymyr Babin, Jason Baucom, Thomas A Darden, Celeste Sagui

J Phys Chem B· June 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis