Leandro Martínez

发表

TopoLink: A software to validate structural models using chemical crosslinking constraints

Leandro Martínez, Allan J R Ferrari, Fabio C. Gozzo, 2017 .

Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking

José Mario Martínez, Leandro Martínez, J. M. Martínez, 2003, J. Comput. Chem..

Globally convergent trust-region methods for self-consistent field electronic structure calculations.

José Mario Martínez, Leandro Martínez, Juliano B Francisco, 2004, The Journal of chemical physics.

PACKMOL: A package for building initial configurations for molecular dynamics simulations

José Mario Martínez, Ernesto G. Birgin, Ricardo Andrade, 2009, J. Comput. Chem..

Statistical force-field for structural modeling using chemical cross-linking/mass spectrometry distance constraints

Leandro Martínez, Allan J R Ferrari, Fabio C Gozzo, 2019, Bioinform..

Enhancing protein fold determination by exploring the complementary information of chemical cross‐linking and coevolutionary signals

Leandro Martínez, Faruck Morcos, Ricardo N. dos Santos, 2018, Bioinform..

Continuous optimization methods for structure alignments

José Mario Martínez, Roberto Andreani, Leandro Martínez, 2007, Math. Program..

Convergent algorithms for protein structural alignment

José Mario Martínez, Roberto Andreani, Leandro Martínez, 2007, BMC Bioinformatics.

TopoLink: evaluation of structural models using chemical crosslinking distance constraints

Paulo C Carvalho, Milan A Clasen, Leandro Martínez, 2019, Bioinform..

Coevolutionary Signals and Structure-Based Models for the Prediction of Protein Native Conformations.

Leandro Martínez, Faruck Morcos, Ricardo Nascimento Dos Santos, 2018, Methods in molecular biology.

Parametric models to compute tryptophan fluorescence wavelengths from classical protein simulations

Leandro Martínez, Alvaro J. Lopez, L. Martínez, 2018, J. Comput. Chem..

Convergent algorithms for protein structural alignment

José Mario Martínez, Roberto Andreani, Leandro Martínez, 2007, BMC Bioinformatics.

Low Order-Value Optimization and applications

José Mario Martínez, Roberto Andreani, Leandro Martínez, 2009, J. Glob. Optim..

Prediction of kinetics of protein folding with non-redundant contact information

Leandro Martínez, Luciano Censoni, L. Martínez, 2018, Bioinform..

Automatic Identification of Mobile and Rigid Substructures in Molecular Dynamics Simulations and Fractional Structural Fluctuation Analysis

Leandro Martínez, L. Martínez, 2015, PloS one.

A network model predicts the intensity of residue‐protein thermal coupling

Leandro Martínez, Luciano Censoni, Heloisa dos Santos Muniz, 2017, Bioinform..

Inexact restoration method for minimization problems arising in electronic structure calculations

José Mario Martínez, Leandro Martínez, Feodor Pisnitchenko, 2011, Comput. Optim. Appl..

Structural discrimination analysis for constraint selection in protein modeling

Leandro Martínez, Allan J. R. Ferrari, Fábio C. Gozzo, 2021, Bioinform..

Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus

Leandro Martínez, Matías R. Machado, Sergio Pantano, 2021, J. Chem. Inf. Model..

Medium Chain Fatty Acids Are Selective Peroxisome Proliferator Activated Receptor (PPAR) γ Activators and Pan-PPAR Partial Agonists

Leandro Martínez, Tuo Deng, Alessandro S. Nascimento, 2012, PloS one.

Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors.

Leandro Martínez, Igor Polikarpov, Paul Webb, 2005, Biophysical journal.

Activation of the edema factor of Bacillus anthracis by calmodulin: evidence of an interplay between the EF-calmodulin interaction and calcium binding.

Thérèse E Malliavin, Leandro Martínez, Elodie Laine, 2010, Biophysical journal.

Ligand dissociation from estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations.

Leandro Martínez, Igor Polikarpov, Paul Webb, 2008, Molecular endocrinology.

Structural complementarity of distance constraints obtained from chemical cross‐linking and amino acid coevolution

Fábio C Gozzo, Leandro Martínez, Faruck Morcos, 2020, Proteins.

Helix 12 dynamics and thyroid hormone receptor activity: experimental and molecular dynamics studies of Ile280 mutants.

Leandro Martínez, Igor Polikarpov, Paul Webb, 2011, Journal of molecular biology.

Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: evidence of the likeliest escape pathway and its implications for the design of novel ligands.

Leandro Martínez, Igor Polikarpov, Paul Webb, 2006, Journal of medicinal chemistry.

Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach.

Leandro Martínez, Igor Polikarpov, Munir S Skaf, 2008, The journal of physical chemistry. B.

Gaining ligand selectivity in thyroid hormone receptors via entropy

Leandro Martínez, Igor Polikarpov, Phuong Nguyen, 2009, Proceedings of the National Academy of Sciences.