Refinement of the sugar–phosphate backbone torsion beta for AMBER force fields improves the description of Z-and B-DNA M Zgarbová, J Sponer, M Otyepka, TE Cheatham III, R Galindo-Murillo, ... Journal of chemical theory and computation 11 (12), 5723-5736, 2015 | 481 | 2015 |
Assessing the current state of amber force field modifications for DNA R Galindo-Murillo, JC Robertson, M Zgarbova, J Sponer, M Otyepka, ... Journal of chemical theory and computation 12 (8), 4114-4127, 2016 | 419 | 2016 |
Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d (GCACGAACGAACGAACGC) R Galindo-Murillo, DR Roe, TE Cheatham III Biochimica et Biophysica Acta (BBA)-General Subjects 1850 (5), 1041-1058, 2015 | 172 | 2015 |
Intercalation processes of copper complexes in DNA R Galindo-Murillo, JC García-Ramos, L Ruiz-Azuara, TE Cheatham, ... Nucleic acids research 43 (11), 5364-5376, 2015 | 171 | 2015 |
Metal-based drug-DNA interactions JC García-Ramos, R Galindo-Murillo, F Cortés-Guzmán, L Ruiz-Azuara Journal of the Mexican Chemical Society 57 (3), 245-259, 2013 | 89 | 2013 |
On the absence of intrahelical DNA dynamics on the μs to ms timescale R Galindo-Murillo, DR Roe, TE Cheatham III Nature communications 5 (1), 5152, 2014 | 88 | 2014 |
Ethidium bromide interactions with DNA: an exploration of a classic DNA–ligand complex with unbiased molecular dynamics simulations R Galindo-Murillo, TE Cheatham III Nucleic acids research 49 (7), 3735-3747, 2021 | 77 | 2021 |
Molecular recognition between DNA and a copper-based anticancer complex R Galindo-Murillo, L Ruíz-Azuara, R Moreno-Esparza, F Cortés-Guzmán Physical Chemistry Chemical Physics 14 (44), 15539-15546, 2012 | 64 | 2012 |
Defining a conformational ensemble that directs activation of PPARγ IM Chrisman, MD Nemetchek, IMS De Vera, J Shang, Z Heidari, Y Long, ... Nature communications 9 (1), 1794, 2018 | 63 | 2018 |
Transitions of double-stranded DNA between the A-and B-forms JT Waters, XJ Lu, R Galindo-Murillo, JC Gumbart, HD Kim, ... The Journal of Physical Chemistry B 120 (33), 8449-8456, 2016 | 51 | 2016 |
π-Stacking between Casiopeinas® and DNA bases R Galindo-Murillo, J Hernandez-Lima, M González-Rendón, ... Physical Chemistry Chemical Physics 13 (32), 14510-14515, 2011 | 50 | 2011 |
Whole genome gene expression analysis reveals casiopeina-induced apoptosis pathways AI Valencia-Cruz, LI Uribe-Figueroa, R Galindo-Murillo, K Baca-Lopez, ... PloS one 8 (1), e54664, 2013 | 46 | 2013 |
The π‐Back‐Bonding Modulation and Its Impact in the Electronic Properties of CuII Antineoplastic Compounds: An Experimental and Theoretical Study JC García‐Ramos, R Galindo‐Murillo, A Tovar‐Tovar, AL Alonso‐Saenz, ... Chemistry–A European Journal 20 (42), 13730-13741, 2014 | 45 | 2014 |
Oxazinin A, a pseudodimeric natural product of mixed biosynthetic origin from a filamentous fungus Z Lin, M Koch, MH Abdel Aziz, R Galindo-Murillo, MD Tianero, ... Organic letters 16 (18), 4774-4777, 2014 | 40 | 2014 |
In silico design of monomolecular drug carriers for the tyrosine kinase inhibitor drug imatinib based on calix-and thiacalix [n] arene host molecules: a DFT and molecular … R Galindo-Murillo, ME Sandoval-Salinas, J Barroso-Flores Journal of Chemical Theory and Computation 10 (2), 825-834, 2014 | 32 | 2014 |
Calix [n] arene-based drug carriers: a DFT study of their electronic interactions with a chemotherapeutic agent used against leukemia R Galindo-Murillo, A Olmedo-Romero, E Cruz-Flores, PM Petrar, ... Computational and Theoretical Chemistry 1035, 84-91, 2014 | 31 | 2014 |
Dissociative reactions of benzonorbornadienes with tetrazines: scope of leaving groups and mechanistic insights M Xu, R Galindo-Murillo, TE Cheatham, RM Franzini Organic & Biomolecular Chemistry 15 (46), 9855-9865, 2017 | 30 | 2017 |
Using wavelet analysis to assist in identification of significant events in molecular dynamics simulations Z Heidari, DR Roe, R Galindo-Murillo, JB Ghasemi, TE Cheatham III Journal of chemical information and modeling 56 (7), 1282-1291, 2016 | 22 | 2016 |
Molecular modeling of nucleic acid structure R Galindo‐Murillo, C Bergonzo, TE Cheatham III Current protocols in nucleic acid chemistry 54 (1), 7.5. 1-7.5. 13, 2013 | 22* | 2013 |
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years? G Da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... Biophysical Reviews, 1-11, 2021 | 21 | 2021 |