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Journal of Chemical Theory and Computation
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November 22, 2015
Metadynamics with Adaptive Gaussians
Davide Branduardi, Giovanni Bussi, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 15, 2014
String method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems
Davide Branduardi, José D Faraldo-Gómez
The Journal of Chemical Physics
|
February 17, 2007
From A to B in free energy space
Davide Branduardi, Francesco Luigi Gervasio, Michele Parrinello
Journal of Computational Chemistry
|
July 8, 2015
Atomic-resolution dissection of the energetics and mechanism of isomerization of hydrated ATP-Mg(2+) through the SOMA string method
Davide Branduardi, Fabrizio Marinelli, José D Faraldo-Gómez
Journal of Computational Chemistry
|
June 10, 2011
A chirality-based metrics for free-energy calculations in biomolecular systems
Adriana Pietropaolo, Davide Branduardi, Massimiliano Bonomi, et al.
Journal of the American Chemical Society
|
September 25, 2008
The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpin
Massimiliano Bonomi, Davide Branduardi, Francesco L Gervasio, et al.
The Journal of Physical Chemistry. B
|
August 22, 2009
Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide
Yves A Mantz, Davide Branduardi, Giovanni Bussi, et al.
Cancer Research
|
April 17, 2004
Cytostatic and cytotoxic effects of topotecan decoded by a novel mathematical simulation approach
Monica Lupi, Giada Matera, Davide Branduardi, et al.
The Journal of Physical Chemistry. B
|
July 3, 2010
Free-energy-based methods for binding profile determination in a congeneric series of CDK2 inhibitors
Jérémy Fidelak, Jarek Juraszek, Davide Branduardi, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations
Davide Branduardi, Marco De Vivo, Nadia Rega, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 22, 2015
Metadynamics with Adaptive Gaussians
Davide Branduardi, Giovanni Bussi, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 15, 2014
String method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems
Davide Branduardi, José D Faraldo-Gómez
The Journal of Chemical Physics
|
February 17, 2007
From A to B in free energy space
Davide Branduardi, Francesco Luigi Gervasio, Michele Parrinello
Journal of Computational Chemistry
|
July 8, 2015
Atomic-resolution dissection of the energetics and mechanism of isomerization of hydrated ATP-Mg(2+) through the SOMA string method
Davide Branduardi, Fabrizio Marinelli, José D Faraldo-Gómez
Journal of Computational Chemistry
|
June 10, 2011
A chirality-based metrics for free-energy calculations in biomolecular systems
Adriana Pietropaolo, Davide Branduardi, Massimiliano Bonomi, et al.
Journal of the American Chemical Society
|
September 25, 2008
The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpin
Massimiliano Bonomi, Davide Branduardi, Francesco L Gervasio, et al.
The Journal of Physical Chemistry. B
|
August 22, 2009
Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide
Yves A Mantz, Davide Branduardi, Giovanni Bussi, et al.
Cancer Research
|
April 17, 2004
Cytostatic and cytotoxic effects of topotecan decoded by a novel mathematical simulation approach
Monica Lupi, Giada Matera, Davide Branduardi, et al.
The Journal of Physical Chemistry. B
|
July 3, 2010
Free-energy-based methods for binding profile determination in a congeneric series of CDK2 inhibitors
Jérémy Fidelak, Jarek Juraszek, Davide Branduardi, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations
Davide Branduardi, Marco De Vivo, Nadia Rega, et al.
Page
of 3