Carlos Alemán

	2011
19		David Curcó, David Zanuy, Ruth Nussinov, Carlos Alemán: A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides. Journal of Computational Chemistry 32(4): 607-619 (2011)
	2010
18		Julien Preat, Francisco Rodríguez-Ropero, Juan Torras, Oscar Bertran, David Zanuy, Carlos Alemán: Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s. Journal of Computational Chemistry 31(8): 1741-1751 (2010)
	2008
17		Francisco Rodríguez-Ropero, Jordi Casanovas, Carlos Alemán: Ab initio calculations on pi-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters. Journal of Computational Chemistry 29(1): 69-78 (2008)
16		Francisco Rodríguez-Ropero, David Zanuy, Carlos Alemán: Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle. Journal of Computational Chemistry 29(8): 1233-1241 (2008)
	2007
15		David Curcó, Carlos Alemán: Computational tool to model the packing of polycyclic chains: Structural analysis of amorphous polythiophene. Journal of Computational Chemistry 28(10): 1743-1749 (2007)
14		David Curcó, Carlos Alemán: Coarse-graining: A procedure to generate equilibrated and relaxed models of amorphous polymers. Journal of Computational Chemistry 28(12): 1929-1935 (2007)
	2005
13		David Curcó, Jordi Casanovas, Marc Roca, Carlos Alemán: A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima. Computer Physics Communications 169(1-3): 335-338 (2005)
	2004
12		David Curcó, Carlos Alemán: Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima. Journal of Computational Chemistry 25(6): 790-798 (2004)
	2003
11		David Curcó, David Zanuy, Carlos Alemán: EVEBAT: A fast strategy for the examination of the empty space in polymer matrices. Journal of Computational Chemistry 24(10): 1208-1214 (2003)
10		David Zanuy, Carlos Alemán, Manuel Laso, Sebastián Muñoz-Guerra: Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. Journal of Computational Chemistry 24(6): 770-778 (2003)
	2002
9		Salvador León, David Zanuy, Carlos Alemán: Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study. Journal of Computational Chemistry 23(7): 685-696 (2002)
	2001
8		Salvador León, Carlos Alemán, Francesc Escalé, Manuel Laso: MCDP: an advanced tool to simulate comb-like polymers. Journal of Computational Chemistry 22(2): 162-171 (2001)
7		Adriana M. Namba, Salvador León, Gil Valdo José da Silva, Carlos Alemán: Force-field parametrization and molecular dynamics simulations of p-menthan-3, 9-diols: a family of amphiphilic compounds derived from terpenoids. Journal of Computer-Aided Molecular Design 15(3): 235-245 (2001)
	1998
6		Carlos Alemán, Jordi Casanovas, Sérgio E. Galembeck: PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. Journal of Computer-Aided Molecular Design 12(3): 259-273 (1998)
	1996
5		F. Javier Luque, Margarida Bachs, Carlos Alemán, Modesto Orozco: Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4. Journal of Computational Chemistry 17(7): 806-820 (1996)
	1994
4		Jordi Casanovas, Carlos Alemán: A quantum-mechanical study of the chain-length dependent stability of the extended and 310-helix conformations in dehydroalanine oligopeptides. Journal of Computer-Aided Molecular Design 8(4): 441-448 (1994)
	1993
3		Carlos Alemán, Juan J. Perez: SCF-MO study of the polyglycine II structure. Journal of Computer-Aided Molecular Design 7(2): 241-250 (1993)
2		Carlos Alemán, F. Javier Luque, Modesto Orozco: A new scaling procedure to correct semiempirical MEP and MEP-derived properties. Journal of Computer-Aided Molecular Design 7(6): 721-742 (1993)
	1992
1		Carlos Alemán, Modesto Orozco: On the suitability of semiempirical calculations as sources of force field parameters. Journal of Computer-Aided Molecular Design 6(4): 331-348 (1992)

Coauthor Index

1	Margarida Bachs	[5]
2	Oscar Bertran	[18]
3	Jordi Casanovas	[4] [6] [13] [17]
4	David Curcó	[11] [12] [13] [14] [15] [19]
5	Francesc Escalé	[8]
6	Sérgio E. Galembeck	[6]
7	Manuel Laso	[8] [10]
8	Salvador León	[7] [8] [9]
9	F. Javier Luque (Francisco Javier Luque)	[2] [5]
10	Sebastián Muñoz-Guerra	[10]
11	Adriana M. Namba	[7]
12	Ruth Nussinov	[19]
13	Modesto Orozco	[1] [2] [5]
14	Juan J. Perez	[3]
15	Julien Preat	[18]
16	Marc Roca	[13]
17	Francisco Rodríguez-Ropero	[16] [17] [18]
18	Gil Valdo José da Silva	[7]
19	Juan Torras	[18]
20	David Zanuy	[9] [10] [11] [16] [18] [19]

Colors in the list of coauthors

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