| PACKMOL: A package for building initial configurations for molecular dynamics simulations L Martínez, R Andrade, EG Birgin, JM Martínez Journal of computational chemistry 30 (13), 2157-2164, 2009 | 2345 | 2009 |
| Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking JM Martínez, L Martínez Journal of computational chemistry 24 (7), 819-825, 2003 | 362 | 2003 |
| Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists MV Liberato, AS Nascimento, SD Ayers, JZ Lin, A Cvoro, RL Silveira, ... PloS one 7 (5), e36297, 2012 | 111 | 2012 |
| 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 L Martínez, P Webb, I Polikarpov, MS Skaf Journal of medicinal chemistry 49 (1), 23-26, 2006 | 79 | 2006 |
| Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors L Martínez, MT Sonoda, P Webb, JD Baxter, MS Skaf, I Polikarpov Biophysical journal 89 (3), 2011-2023, 2005 | 76 | 2005 |
| Convergent algorithms for protein structural alignment L Martínez, R Andreani, JM Martínez BMC bioinformatics 8 (1), 306, 2007 | 73 | 2007 |
| Gaining ligand selectivity in thyroid hormone receptors via entropy L Martínez, AS Nascimento, FM Nunes, K Phillips, R Aparicio, SMG Dias, ... Proceedings of the National Academy of Sciences 106 (49), 20717-20722, 2009 | 71 | 2009 |
| Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics … L Martínez, I Polikarpov, MS Skaf The journal of physical chemistry B 112 (34), 10741-10751, 2008 | 64 | 2008 |
| Ligand dissociation from estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations MT Sonoda, L Martínez, P Webb, MS Skaf, I Polikarpov Molecular endocrinology 22 (7), 1565-1578, 2008 | 57 | 2008 |
| Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms L Bleicher, R Aparicio, FM Nunes, L Martinez, SMG Dias, ACM Figueira, ... BMC structural biology 8 (1), 8, 2008 | 48 | 2008 |
| Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange ACM Figueira, DM Saidemberg, PCT Souza, L Martínez, TS Scanlan, ... Molecular Endocrinology 25 (1), 15-31, 2011 | 44 | 2011 |
| Globally convergent trust-region methods for self-consistent field electronic structure calculations JB Francisco, JM Martı́nez, L Martı́nez The Journal of chemical physics 121 (22), 10863-10878, 2004 | 40 | 2004 |
| Dynamics of nuclear receptor Helix-12 switch of transcription activation by modeling time-resolved fluorescence anisotropy decays MRB Batista, L Martínez Biophysical journal 105 (7), 1670-1680, 2013 | 39 | 2013 |
| Synthesis, characterization and catalytic properties of sol–gel derived mixed oxides RF de Farias, U Arnold, L Martınez, U Schuchardt, MJDM Jannini, ... Journal of Physics and Chemistry of Solids 64 (12), 2385-2389, 2003 | 39 | 2003 |
| A review on the dynamics of water MT Sonoda, NH Moreira, L Martínez, FW Favero, SM Vechi, LR Martins, ... Brazilian journal of physics 34 (1), 3-16, 2004 | 33 | 2004 |
| Enzyme microheterogeneous hydration and stabilization in supercritical carbon dioxide RL Silveira, J Martínez, MS Skaf, L Martínez The Journal of Physical Chemistry B 116 (19), 5671-5678, 2012 | 30 | 2012 |
| Low order-value optimization and applications R Andreani, JM Martínez, L Martínez, FS Yano Journal of Global Optimization 43 (1), 1-22, 2009 | 30 | 2009 |
| Identification of a new hormone-binding site on the surface of thyroid hormone receptor PCT Souza, AC Puhl, L Martínez, R Aparício, AS Nascimento, ... Molecular Endocrinology 28 (4), 534-545, 2014 | 28 | 2014 |
| Automatic identification of mobile and rigid substructures in molecular dynamics simulations and fractional structural fluctuation analysis L Martínez PloS one 10 (3), e0119264, 2015 | 27 | 2015 |
| Mapping the Intramolecular Vibrational Energy Flow in Proteins Reveals Functionally Important Residues L Martínez, ACM Figueira, P Webb, I Polikarpov, MS Skaf The Journal of Physical Chemistry Letters 2 (16), 2073-2078, 2011 | 25 | 2011 |
Munir S. SkafInstitute of Chemistry, University of Campinas - UNICAMPVerified email at iqm.unicamp.br
