Gustavo A. Arteca

发表

Heuristic lipophilicity potential for computer-aided rational drug design

Qishi Du, Gustavo A. Arteca, Paul G. Mezey, 1997, J. Comput. Aided Mol. Des..

Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution

Qishi Du, Gustavo A. Arteca, 1996, J. Comput. Chem..

A Measure of Folding Complexity for D-Dimensional Polymers

Gustavo A. Arteca, 2003, J. Chem. Inf. Comput. Sci..

Path-Space Ratio as a Molecular Shape Descriptor of Polymer Conformation

Tomas Edvinsson, Gustavo A. Arteca, Christer Elvingson, 2003, J. Chem. Inf. Comput. Sci..

Electron-density-dependent fused-sphere surfaces derived from pseudopotential calculations

Gustavo A. Arteca, Naomi D. Grant, G. Arteca, 1999, J. Comput. Aided Mol. Des..

Comparative study between ab initio and semiempirical electrostatic potentials on molecular surfaces

Gustavo A. Arteca, Hugo O. Villar, Ibon Alkorta, 1993, J. Comput. Chem..

Characterization of Fold Diversity among Proteins with the Same Number of Amino Acid Residues

Gustavo A. Arteca, Orlando Tapia, 1999, J. Chem. Inf. Comput. Sci..

Modeling lipophilicity from the distribution of electrostatic potential on a molecular surface

Qishi Du, Gustavo A. Arteca, G. Arteca, 1996, J. Comput. Aided Mol. Des..

Analytical Estimation of Scaling Behavior for the Entanglement Complexity of a Bond Network

Gustavo A. Arteca, G. Arteca, 2002, J. Chem. Inf. Comput. Sci..

Path-Integral Calculation of the Mean Number of Overcrossings in an Entangled Polymer Network

Gustavo A. Arteca, G. Arteca, 1999, J. Chem. Inf. Comput. Sci..

Shape analysis of hydrogen‐bonded networks in solvation clusters

Gustavo A. Arteca, G. Arteca, 1994, J. Comput. Chem..

Global measure of molecular flexibility and shape fluctuations about conformational minima

Gustavo A. Arteca, 1993, J. Comput. Chem..

Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10‐electron hydrides

Gustavo A. Arteca, Paul G. Mezey, P. Duane Walker, 1993, J. Comput. Chem..

A quantitative approach to structural similarity from molecular topology of reaction paths

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1990 .

Temperature dependence of self-entanglements in protein backones near the glass-like transition

Gustavo A. Arteca, G. Arteca, Denise I Caughill, 1998 .

Compaction of grafted wormlike chains under variable confinement

Tomas Edvinsson, Gustavo A. Arteca, Christer Elvingson, 2001 .

The shapes of backbones of chain molecules: Three‐dimensional characterization by spherical shape maps

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1992 .

Intrinsic shape stability of equilibrium motions in poly(L-alanine)

Gustavo A. Arteca, G. Arteca, 1996 .

Modeling the effect of Zn(II) on the hydrogen transfer in inhibition processes

Gustavo A. Arteca, Isabel Rozas, 1992 .

Distribution of Conformational Energy Minima in Molecules with Multiple Torsional Degrees of Freedom

Gustavo A. Arteca, Hugo O. Villar, Juan J. Perez, 1994 .

Relative measure of geometrical entanglement to study folding-unfolding transitions. Application to analysis of molecular dynamics trajectories of proteins in vacuo

Gustavo A. Arteca, Orlando Tapia, 2000 .

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1989 .

Shape characterization of some molecular model surfaces

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1988 .

Dynamic Molecular Shape Analysis of Configurational Transitions Associated with Melting and Premelting of n-Alkane Chains

Gustavo A. Arteca, 1997 .

Gustavo A. Arteca, G. Arteca, 1997 .

Shape group studies of molecular similarity: relative shapes of Van der Waals and electrostatic potential surfaces of nicotinic agonists

Gustavo A. Arteca, Paul G. Mezey, Mark Hermsmeier, 1988 .

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1992 .

Shape group theory of van der Waals surfaces

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1989 .

Molecular Shape Descriptors

Gustavo A. Arteca, G. Arteca, 2007 .

Fluctuations in molecular size, entanglement complexity, and anisometry along molecular dynamics trajectories of short α‐helices

Gustavo A. Arteca, G. Arteca, 1995 .

A topological characterization for simple molecular surfaces

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1988 .

Molecular conformations and molecular shape: A discrete characterization of continua of van der Waals surfaces

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1988 .

Derivation of fused‐sphere molecular surfaces from properties of the electrostatic potential distribution

Qishi Du, Gustavo A. Arteca, G. Arteca, 1996 .

Characterization of Fold Diversity Among Proteins with the Same Number of Amino Acid Residues.

Gustavo A. Arteca, Orlando Tapia, 1999 .

A detailed shape characterization of regular polypeptide conformations

Gustavo A. Arteca, 1995 .

A complete shape characterization for molecular charge densities represented by Gaussian‐type functions

Gustavo A. Arteca, Paul G. Mezey, P. Duane Walker, 1991 .

Shape group studies of molecular similarity and regioselectivity in chemical reactions

Gustavo A. Arteca, Paul G. Mezey, P. Mezey, 1988 .

On the inhibition of alcohol dehydrogenase: Shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives

Gustavo A. Arteca, Paul G. Mezey, Isabel Rozas, 1991 .