Leandro Martínez

18 papers Journal 18
YearRankTypeTitle / Venue / Authors
2025 J jnl
Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods.
J. Chem. Inf. Model.
Mauricio Bedoya, Francisco Adasme-Carreño, Paula Andrea Peña-Martínez, Camila Muñoz-Gutiérrez, Luciano Peña-Tejo, José C. E. Márquez Montesinos, Erix Wiliam Hernández-Rodríguez, Wendy González, Leandro Martínez, Jans H. Alzate-Morales
2024 J jnl
Helical Content Correlations and Hydration Structures of the Folding Ensemble of the B Domain of Protein A.
J. Chem. Inf. Model.
Ander Francisco Pereira, Leandro Martínez
2022 J jnl
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff.
Comput. Phys. Commun.
Leandro Martínez
2021 J jnl
Structural discrimination analysis for constraint selection in protein modeling.
Bioinform.
Guilherme F. Bottino, Allan J. R. Ferrari, Fábio C. Gozzo, Leandro Martínez
2021 J jnl
Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus.
J. Chem. Inf. Model.
Martín Soñora, Leandro Martínez, Sergio Pantano, Matías R. Machado
2020 J jnl
On the Interpretation of subtilisin Carlsberg Time-Resolved Fluorescence Anisotropy Decays: Modeling with Classical Simulations.
J. Chem. Inf. Model.
Alvaro J. Lopez, Emília P. Barros, Leandro Martínez
2019 J jnl
Statistical force-field for structural modeling using chemical cross-linking/mass spectrometry distance constraints.
Bioinform.
Allan J. R. Ferrari, Fábio C. Gozzo, Leandro Martínez
2019 J jnl
TopoLink: evaluation of structural models using chemical crosslinking distance constraints.
Bioinform.
Allan J. R. Ferrari, Milan A. Clasen, Louise U. Kurt, Paulo C. Carvalho, Fábio C. Gozzo, Leandro Martínez
2018 J jnl
Enhancing protein fold determination by exploring the complementary information of chemical cross-linking and coevolutionary signals.
Bioinform.
Ricardo N. dos Santos, Allan J. R. Ferrari, Hugo C. R. de Jesus, Fábio C. Gozzo, Faruck Morcos, Leandro Martínez
2018 J jnl
Parametric models to compute tryptophan fluorescence wavelengths from classical protein simulations.
J. Comput. Chem.
Alvaro J. Lopez, Leandro Martínez
2018 J jnl
Prediction of kinetics of protein folding with non-redundant contact information.
Bioinform.
Luciano Censoni, Leandro Martínez
2017 J jnl
A network model predicts the intensity of residue-protein thermal coupling.
Bioinform.
Luciano Censoni, Heloisa dos Santos Muniz, Leandro Martínez
2011 J jnl
Inexact restoration method for minimization problems arising in electronic structure calculations.
Comput. Optim. Appl.
Juliano B. Francisco, José Mario Martínez, Leandro Martínez, Feodor Pisnitchenko
2009 J jnl
Low Order-Value Optimization and applications.
J. Glob. Optim.
Roberto Andreani, José Mario Martínez, Leandro Martínez, Flávio S. Yano
2009 J jnl
PACKMOL: A package for building initial configurations for molecular dynamics simulations.
J. Comput. Chem.
Leandro Martínez, Ricardo Andrade, Ernesto G. Birgin, José Mario Martínez
2008 J jnl
Continuous optimization methods for structure alignments.
Math. Program.
Roberto Andreani, José Mario Martínez, Leandro Martínez, Flávio S. Yano
2007 J jnl
Convergent algorithms for protein structural alignment.
BMC Bioinform.
Leandro Martínez, Roberto Andreani, José Mario Martínez
2003 J jnl
Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking.
J. Comput. Chem.
José Mario Martínez, Leandro Martínez