Simulation of Ca2+ and Mg2+ Solvation Using Polarizable Atomic Multipole Potential
Jiao, Dian, King, Christopher, Grossfield, Alan, Darden, Thomas A, Ren, Pengyu
Published in The journal of physical chemistry. B (21.09.2006)
Published in The journal of physical chemistry. B (21.09.2006)
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Towards a force field based on density fitting
Piquemal, Jean-Philip, Cisneros, G Andrés, Reinhardt, Peter, Gresh, Nohad, Darden, Thomas A
Published in The Journal of chemical physics (14.03.2006)
Published in The Journal of chemical physics (14.03.2006)
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Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations
Sagui, Celeste, Pedersen, Lee G, Darden, Thomas A
Published in The Journal of chemical physics (01.01.2004)
Published in The Journal of chemical physics (01.01.2004)
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Intermolecular electrostatic energies using density fitting
Cisneros, G Andrés, Piquemal, Jean-Philip, Darden, Thomas A
Published in The Journal of chemical physics (22.07.2005)
Published in The Journal of chemical physics (22.07.2005)
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Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy
Gresh, Nohad, Cisneros, G. Andrés, Darden, Thomas A, Piquemal, Jean-Philip
Published in Journal of chemical theory and computation (01.11.2007)
Published in Journal of chemical theory and computation (01.11.2007)
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Identification of a Specific Motif of the DSS1 Protein Required for Proteasome Interaction and p53 Protein Degradation
Wei, Sung-Jen, Williams, Jason G., Dang, Hong, Darden, Thomas A., Betz, Bryan L., Humble, Margaret M., Chang, Fang-Mei, Trempus, Carol S., Johnson, Katina, Cannon, Ronald E., Tennant, Raymond W.
Published in Journal of molecular biology (14.11.2008)
Published in Journal of molecular biology (14.11.2008)
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Glucosaminylglycan biosynthesis: what we can learn from the X-ray crystal structures of glycosyltransferases GlcAT1 and EXTL2
Negishi, Masahiko, Dong, Jian, Darden, Thomas A., Pedersen, Lee G., Pedersen, Lars C.
Published in Biochemical and biophysical research communications (04.04.2003)
Published in Biochemical and biophysical research communications (04.04.2003)
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NMDA Receptor Activation by HIV-Tat Protein Is Clade Dependent
Li, Wenxue, Huang, Yan, Reid, Rollie, Steiner, Joseph, Malpica-Llanos, Tanya, Darden, Thomas A, Shankar, Susarla K, Mahadevan, Anita, Satishchandra, Parthasarthy, Nath, Avindra
Published in The Journal of neuroscience (19.11.2008)
Published in The Journal of neuroscience (19.11.2008)
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Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
Piquemal, Jean-Philip, Perera, Lalith, Cisneros, G Andrés, Ren, Pengyu, Pedersen, Lee G, Darden, Thomas A
Published in The Journal of chemical physics (07.08.2006)
Published in The Journal of chemical physics (07.08.2006)
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Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods
Cisneros, G Andrés, Piquemal, Jean-Philip, Darden, Thomas A
Published in The Journal of chemical physics (14.11.2006)
Published in The Journal of chemical physics (14.11.2006)
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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
Chaudret, Robin, Gresh, Nohad, Narth, Christophe, Lagardère, Louis, Darden, Thomas A, Cisneros, G. Andrés, Piquemal, Jean-Philip
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2014)
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Molecular Dynamics Simulations of DNA with Polarizable Force Fields: Convergence of an Ideal B-DNA Structure to the Crystallographic Structure
Babin, Volodymyr, Baucom, Jason, Darden, Thomas A, Sagui, Celeste
Published in The journal of physical chemistry. B (15.06.2006)
Published in The journal of physical chemistry. B (15.06.2006)
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