Juan Torras

According to our database, Juan Torras authored at least 6 papers between 2007 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

IgG1-b12-HIV-gp120 Interface in Solution: A Computational Study.

Didac Martí, Carlos Alemán, Jon Ainsley, Oscar Ahumada, Juan Torras

J. Chem. Inf. Model., 2022

2012

Comment on "a minimal implementation of the AMBER-GAUSSIAN interface for <i>Ab Initio</i> QM/MM-MD simulation".

Benjamin P. Roberts, Gustavo de M. Seabra, Adrian E. Roitberg, Kenneth M. Merz Jr., Erik Deumens, Juan Torras, Samuel B. Trickey

J. Comput. Chem., 2012

2010

Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s.

Julien Preat, Francisco Rodríguez-Ropero, Juan Torras, Oscar Bertran, David Zanuy, Carlos Alemán

J. Comput. Chem., 2010

Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system.

Oscar Bertran, Samuel B. Trickey, Juan Torras

J. Comput. Chem., 2010

2008

A versatile AMBER-Gaussian QM/MM interface through PUPIL.

Juan Torras, Gustavo de M. Seabra, Erik Deumens, Samuel B. Trickey, Adrian E. Roitberg

J. Comput. Chem., 2008

2007

PUPIL: A systematic approach to software integration in multi-scale simulations.

Juan Torras, Yao He, Chao Cao, Krishna Muralidharan, Erik Deumens, H.-P. Cheng, Samuel B. Trickey

Comput. Phys. Commun., 2007