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Journal of Chemical Theory and Computation
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May 23, 2009
Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir
Morgan Lawrenz, Riccardo Baron, J Andrew McCammon
Journal of Chemical Theory and Computation
|
September 17, 2010
How Can Hydrophobic Association Be Enthalpy Driven?
Piotr Setny, Riccardo Baron, J Andrew McCammon
Current Opinion in Structural Biology
|
November 10, 2009
The oxygen-binding vs. oxygen-consuming paradigm in biocatalysis: structural biology and biomolecular simulation
Riccardo Baron, J Andrew McCammon, Andrea Mattevi
Journal of the American Chemical Society
|
August 11, 2010
Water in cavity-ligand recognition
Riccardo Baron, Piotr Setny, J Andrew McCammon
Journal of Computer-Aided Molecular Design
|
January 16, 2008
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
Rommie E Amaro, Riccardo Baron, J Andrew McCammon
Journal of Peptide Science : an Official Publication of the European Peptide Society
|
January 7, 2005
Principles of carbopeptoid folding: a molecular dynamics simulation study
Riccardo Baron, Dirk Bakowies, Wilfred F van Gunsteren
Journal of Chemical Theory and Computation
|
November 21, 2015
Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization
Jibao Lu, Yuqing Qiu, Riccardo Baron, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
December 21, 2011
On the use of molecular dynamics receptor conformations for virtual screening
Sara E Nichols, Riccardo Baron, J Andrew McCammon
Angewandte Chemie (International Ed. in English)
|
August 10, 2004
Carbopeptoid folding: effects of stereochemistry, chain length, and solvent
Riccardo Baron, Dirk Bakowies, Wilfred F van Gunsteren
Journal of Chemical Theory and Computation
|
December 17, 2009
Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties
Riccardo Baron, Philippe H Hünenberger, J Andrew McCammon
Page
of 6
Search research articles
Search
Showing results (11-20 of 53) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
May 23, 2009
Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir
Morgan Lawrenz, Riccardo Baron, J Andrew McCammon
Journal of Chemical Theory and Computation
|
September 17, 2010
How Can Hydrophobic Association Be Enthalpy Driven?
Piotr Setny, Riccardo Baron, J Andrew McCammon
Current Opinion in Structural Biology
|
November 10, 2009
The oxygen-binding vs. oxygen-consuming paradigm in biocatalysis: structural biology and biomolecular simulation
Riccardo Baron, J Andrew McCammon, Andrea Mattevi
Journal of the American Chemical Society
|
August 11, 2010
Water in cavity-ligand recognition
Riccardo Baron, Piotr Setny, J Andrew McCammon
Journal of Computer-Aided Molecular Design
|
January 16, 2008
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
Rommie E Amaro, Riccardo Baron, J Andrew McCammon
Journal of Peptide Science : an Official Publication of the European Peptide Society
|
January 7, 2005
Principles of carbopeptoid folding: a molecular dynamics simulation study
Riccardo Baron, Dirk Bakowies, Wilfred F van Gunsteren
Journal of Chemical Theory and Computation
|
November 21, 2015
Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization
Jibao Lu, Yuqing Qiu, Riccardo Baron, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
December 21, 2011
On the use of molecular dynamics receptor conformations for virtual screening
Sara E Nichols, Riccardo Baron, J Andrew McCammon
Angewandte Chemie (International Ed. in English)
|
August 10, 2004
Carbopeptoid folding: effects of stereochemistry, chain length, and solvent
Riccardo Baron, Dirk Bakowies, Wilfred F van Gunsteren
Journal of Chemical Theory and Computation
|
December 17, 2009
Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties
Riccardo Baron, Philippe H Hünenberger, J Andrew McCammon
Page
of 6