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Alice R. Walker
Alice R. Walker
Assistant Professor, Wayne State University
Verified email at wayne.edu - Homepage
Title
Cited by
Cited by
Year
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
902016
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
222017
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
212017
Cycloaddition of ethene on a series of single-walled carbon nanotubes
DB Lawson, AR Walker
Computational and Theoretical Chemistry 981, 31-37, 2012
132012
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
122019
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
122018
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
112021
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
102018
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
82017
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
72020
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
62021
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
52017
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
52016
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
42023
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
22023
Conical Intersection Accessibility Dictates Brightness in Red Fluorescent Proteins
E Pieri, AR Walker, M Zhu, TJ Martínez
12023
Dimer interface destabilization of photodissociative Dronpa driven by asymmetric monomer dynamics
CH McCulley, AR Walker
The Journal of Physical Chemistry B 127 (43), 9248-9257, 2023
12023
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
12023
Computational investigations of the excited state dynamics and quenching mechanisms of polycyclic aromatic hydrocarbon DNA adducts in solution
SY Effah, W Kaushalya, MA Hix, AR Walker
Electronic Structure 4 (4), 044003, 2022
12022
Simulation-guided engineering of split GFPs with efficient β-strand photodissociation
Y Shamsudin, AR Walker, CM Jones, TJ Martínez, SG Boxer
Nature Communications 14 (1), 7401, 2023
2023
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