Carlos Alemán
Orcid: 0000-0003-4462-6075
According to our database1,
Carlos Alemán
authored at least 26 papers
between 1992 and 2022.
Collaborative distances:
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Bibliography
2022
J. Chem. Inf. Model., 2022
2013
Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing.
J. Comput. Aided Mol. Des., 2013
2011
A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides.
J. Comput. Chem., 2011
2010
Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s.
J. Comput. Chem., 2010
2009
Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale.
J. Chem. Inf. Model., 2009
2008
Application of 1-Aminocyclohexane Carboxylic Acid to Protein Nanostructure Computer Design.
J. Chem. Inf. Model., 2008
Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle.
J. Comput. Chem., 2008
<i>Ab initio</i> calculations on pi-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters.
J. Comput. Chem., 2008
2007
Coarse-graining: A procedure to generate equilibrated and relaxed models of amorphous polymers.
J. Comput. Chem., 2007
Computational tool to model the packing of polycyclic chains: Structural analysis of amorphous polythiophene.
J. Comput. Chem., 2007
2006
Force-field parametrization of retro-inverso modified residues: Development of torsional and electrostatic parameters.
J. Comput. Aided Mol. Des., 2006
2005
A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima.
Comput. Phys. Commun., 2005
2004
Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima.
J. Comput. Chem., 2004
2003
Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation.
J. Comput. Chem., 2003
J. Comput. Chem., 2003
2002
Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study.
J. Comput. Chem., 2002
2001
Force-field parametrization and molecular dynamics simulations of p-menthan-3, 9-diols: a family of amphiphilic compounds derived from terpenoids.
J. Comput. Aided Mol. Des., 2001
1998
PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid.
J. Comput. Aided Mol. Des., 1998
1996
Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4.
J. Comput. Chem., 1996
1994
A quantum-mechanical study of the chain-length dependent stability of the extended and 3<sub>10</sub>-helix conformations in dehydroalanine oligopeptides.
J. Comput. Aided Mol. Des., 1994
1993
J. Comput. Chem., 1993
J. Comput. Aided Mol. Des., 1993
1992
On the suitability of semiempirical calculations as sources of force field parameters.
J. Comput. Aided Mol. Des., 1992