| LICHEM: A QM/MM Program for Simulations with Multipolar and Polarizable Force Fields EG Kratz, AR Walker, L Lagardere, F Lipparini, JP Piquemal, GA Cisneros Journal of Computational Chemistry, 2016 | 104 | 2016 |
| ALKBH7 variant related to prostate cancer exhibits altered substrate binding AR Walker, P Silvestrov, TA Müller, RH Podolsky, G Dyson, RP Hausinger, ... PLoS computational biology 13 (2), e1005345, 2017 | 31 | 2017 |
| Computational Simulations of DNA Polymerases: Detailed Insights on Structure/Function/Mechanism from Native Proteins to Cancer Variants AR Walker, GA Cisneros Chemical research in toxicology 30 (11), 1922-1935, 2017 | 25 | 2017 |
| Proton Transfer from a Photoacid to a Water Wire: First Principles Simulations and Fast Fluorescence Spectroscopy AR Walker, B Wu, J Meisner, MD Fayer, TJ Martínez The Journal of Physical Chemistry B 125 (45), 12539-12551, 2021 | 17 | 2021 |
| Unfolding Pathways of Hen Egg-White Lysozyme in Ethanol AR Walker, N Baddam, GA Cisneros The Journal of Physical Chemistry B 123 (15), 3267-3271, 2019 | 14 | 2019 |
| Cycloaddition of ethene on a series of single-walled carbon nanotubes DB Lawson, AR Walker Computational and Theoretical Chemistry 981, 31-37, 2012 | 13 | 2012 |
| Characterization of nine cancer-associated variants in human DNA polymerase κ NM Antczak, AR Walker, HR Stern, EM Leddin, C Palad, TA Coulther, ... Chemical research in toxicology 31 (8), 697-711, 2018 | 12 | 2018 |
| Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant HL Gahlon, AR Walker, GA Cisneros, MH Lamers, DS Rueda Physical Chemistry Chemical Physics 20 (42), 26892-26902, 2018 | 12 | 2018 |
| Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families MB Berger, AR Walker, EA Vázquez-Montelongo, GA Cisneros Physical Chemistry Chemical Physics 23 (39), 22227-22240, 2021 | 11 | 2021 |
| Rational Design of the β‐Bulge Gate in a Green Fluorescent Protein Accelerates the Kinetics of Sulfate Sensing WSY Ong, K Ji, V Pathiranage, C Maydew, K Baek, RLE Villones, ... Angewandte Chemie 135 (26), e202302304, 2023 | 9 | 2023 |
| Proton Transfer Dynamics in the Aprotic Proton Accepting Solvent 1-Methylimidazole JE Thomaz, AR Walker, SJ Van Wyck, J Meisner, TJ Martinez, MD Fayer The Journal of Physical Chemistry B 124 (36), 7897-7908, 2020 | 9 | 2020 |
| Bulky lesion bypass requires Dpo4 binding in distinct conformations PS Liyanage, AR Walker, A Brenlla, GA Cisneros, LJ Romano, D Rueda Scientific Reports 7 (1), 17383, 2017 | 9 | 2017 |
| Conical intersection accessibility dictates brightness in red fluorescent proteins E Pieri, AR Walker, M Zhu, TJ Martínez Journal of the American Chemical Society 146 (26), 17646-17658, 2024 | 6 | 2024 |
| Exploring the Effects of Mutagenesis on FusionRed by Using Excited‐State QM/MM Dynamics and Classical Force Field Simulations AR Murphy, MA Hix, AR Walker ChemBioChem 24 (12), e202200799, 2023 | 5 | 2023 |
| Investigating carbohydrate based ligands for galectin-3 with docking and molecular dynamics studies AR Walker, R Bonomi, V Popov, JG Gelovani, GA Cisneros Journal of Molecular Graphics and Modelling 71, 211-217, 2017 | 5 | 2017 |
| Ubiquitin ion structures from the solid state using nothing more than a small molecule and vacuum of an IMS-MS Instrument ED Inutan, TJ El-Baba, A Walker, DW Woodall, PM Stemmer, CD Foley, ... 64th ASMS Conference on Mass Spectrometry and Allied Topics, San Antonio, Texas, 2016 | 5 | 2016 |
| Studies on Monolayer Formation and Electron Transport in Au|LB|Au Junctions Containing 3d4 MnIII Metallosurfactants A Cousino, LD Wickramasinghe, W Kaushalya, SS Perera, H Baydoun, ... The Journal of Physical Chemistry C 127 (33), 16654-16667, 2023 | 4 | 2023 |
| Rational Design and Expedient Synthesis of Heparan Sulfate Mimetics from Natural Aminoglycosides for Structure and Activity Relationship Studies J Wakpal, V Pathiranage, AR Walker, HM Nguyen Angewandte Chemie International Edition 62 (32), e202304325, 2023 | 3 | 2023 |
| Influence of Peripheral and Ancillary Changes on the Electron Transport of HS3d5 FeIII Metallosurfactants–Substituents, Chain Length, Subphase Polarity, and Junction Electrodes G Kirui, W Kaushalya, SS Perera, AR Walker, CN Verani The Journal of Physical Chemistry C, 2024 | 2 | 2024 |
| AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations MA Hix, AR Walker Journal of Chemical Information and Modeling 63 (20), 6293-6301, 2023 | 2 | 2023 |
G Andrés CisnerosUniversity of Texas at DallasVerified email at utdallas.edu
