Molecular modeling: an experimental tool.

Autor Darden, T A, Pedersen, L G
Vydáno 1993

Probing the structural changes in the light chain of human coagulation factor VIIa due to tissue factor association.

Autor Perera, L, Darden, T A, Pedersen, L G
Vydáno 1999

Selected new developments in computational chemistry.

Autor Darden, T A, Bartolotti, L, Pedersen, L G
Vydáno 1996

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

Autor Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A.
Vydáno 2006

The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections

Autor Babin, Volodymyr, Roland, Christopher, Darden, Thomas A., Sagui, Celeste
Vydáno 2006

Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions

Autor Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A.
Vydáno 2006

Intermolecular electrostatic energies using density fitting

Autor Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A.
Vydáno 2005

Atomic-level accuracy in simulations of large protein crystals.

Autor York, D M, Wlodawer, A, Pedersen, L G, Darden, T A
Vydáno 1994

Differential Transactivation by the p53 Transcription Factor Is Highly Dependent on p53 Level and Promoter Target Sequence

Autor Inga, Alberto, Storici, Francesca, Darden, Thomas A., Resnick, Michael A.
Vydáno 2002

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer: influence of the crystal environment.

Autor Bevan, D R, Li, L, Pedersen, L G, Darden, T A
Vydáno 2000

Calculation of protein–ligand binding free energy by using a polarizable potential

Autor Jiao, Dian, Golubkov, Pavel A., Darden, Thomas A., Ren, Pengyu
Vydáno 2008

An atomic model for the pleated beta-sheet structure of Abeta amyloid protofilaments.

Autor Li, L, Darden, T A, Bartolotti, L, Kominos, D, Pedersen, L G
Vydáno 1999

Molecular modeling studies suggest that zinc ions inhibit HIV-1 protease by binding at catalytic aspartates.

Autor York, D M, Darden, T A, Pedersen, L G, Anderson, M W
Vydáno 1993

Numerical Fitting of Molecular Properties to Hermite Gaussians

Autor Cisneros, G. Andrés, Elking, Dennis, Piquemal, Jean-Philip, Darden, Thomas A.
Vydáno 2007

Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand–Macromolecule Complexes. A Bottom-Up Strategy

Autor Gresh*, Nohad, Cisneros, G. Andrés, Darden, Thomas A., Piquemal*, Jean-Philip
Vydáno 2007

Conformations and free energy landscapes of polyproline peptides

Autor Moradi, Mahmoud, Babin, Volodymyr, Roland, Christopher, Darden, Thomas A., Sagui, Celeste
Vydáno 2009

Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility

Autor Cerutti, David S., Duke, Robert E., Darden, Thomas A., Lybrand, Terry P.
Vydáno 2009

Multiple steroid-binding orientations: alteration of regiospecificity of dehydroepiandrosterone 2- and 7-hydroxylase activities of cytochrome P-450 2a-5 by mutation of residue 209.

Autor Iwasaki, M, Davis, D G, Darden, T A, Pedersen, L G, Negishi, M
Vydáno 1995

Towards a force field based on density fitting

Autor Piquemal, Jean-Philip, Cisneros, G. Andrés, Reinhardt, Peter, Gresh, Nohad, Darden, Thomas A.
Vydáno 2006

Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysis

Autor de la Lande, A., Maddaluno, J., Parisel, O., Darden, T. A., Piquemal, J-P
Vydáno 2010