Christopher G Mayne
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Rapid parameterization of small molecules using the force field toolkit
CG Mayne, J Saam, K Schulten, E Tajkhorshid, JC Gumbart
Journal of computational chemistry 34 (32), 2757-2770, 2013
Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation
SW Fanning, CG Mayne, V Dharmarajan, KE Carlson, TA Martin, ...
Elife 5, e12792, 2016
Structural underpinnings of oestrogen receptor mutations in endocrine therapy resistance
JA Katzenellenbogen, CG Mayne, BS Katzenellenbogen, GL Greene, ...
Nature Reviews Cancer, 1, 2018
Minireview: Not picking pockets: nuclear receptor alternate-site modulators (NRAMs)
TW Moore, CG Mayne, JA Katzenellenbogen
Molecular Endocrinology 24 (4), 683-695, 2010
Adaptive multilevel splitting method for molecular dynamics calculation of benzamidine-trypsin dissociation time
I Teo, CG Mayne, K Schulten, T Lelièvre
Journal of chemical theory and computation 12 (6), 2983-2989, 2016
All-atom molecular dynamics of virus capsids as drug targets
JR Perilla, JA Hadden, BC Goh, CG Mayne, K Schulten
The journal of physical chemistry letters 7 (10), 1836-1844, 2016
Stapled Peptides with γ‐Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction
TE Speltz, SW Fanning, CG Mayne, C Fowler, E Tajkhorshid, GL Greene, ...
Angewandte Chemie International Edition 55 (13), 4252-4255, 2016
Design of pathway preferential estrogens that provide beneficial metabolic and vascular effects without stimulating reproductive tissues
Z Madak-Erdogan, SH Kim, P Gong, YC Zhao, H Zhang, KL Chambliss, ...
Sci. Signal. 9 (429), ra53-ra53, 2016
The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells
SW Fanning, R Jeselsohn, V Dharmarajan, CG Mayne, M Karimi, ...
eLife 7, e37161, 2018
Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget
HB Zhou, JH Lee, CG Mayne, KE Carlson, JA Katzenellenbogen
Journal of medicinal chemistry 53 (8), 3349-3360, 2010
Flexibility Coexists with Shape-Persistence in Cyanostar Macrocycles
Y Liu, A Singharoy, CG Mayne, A Sengupta, K Raghavachari, K Schulten, ...
Journal of the American Chemical Society 138 (14), 4843-4851, 2016
The cellular membrane as a mediator for small molecule interaction with membrane proteins
CG Mayne, MJ Arcario, P Mahinthichaichan, JL Baylon, JV Vermaas, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2290-2304, 2016
Atomistic models of general anesthetics for use in in silico biological studies
MJ Arcario, CG Mayne, E Tajkhorshid
The Journal of Physical Chemistry B 118 (42), 12075-12086, 2014
A "Cross-Stitched" Peptide with Improved Helicity and Proteolytic Stability
TE Speltz, CG Mayne, SW Fanning, Z Siddiqui, E Tajkhorshid, GL Greene, ...
Organic & Biomolecular Chemistry, in press, 2018
Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands
JD Durrant, KE Carlson, TA Martin, TL Offutt, CG Mayne, ...
Journal of chemical information and modeling 55 (9), 1953-1961, 2015
Macromolecular Crystallography for Synthetic Abiological Molecules: Combining xMDFF and PHENIX for Structure Determination of Cyanostar Macrocycles
A Singharoy, B Venkatakrishnan, Y Liu, CG Mayne, S Lee, CH Chen, ...
Journal of the American Chemical Society 137 (27), 8810-8818, 2015
Adamantyl antiestrogens with novel side chains reveal a spectrum of activities in suppressing estrogen receptor mediated activities in breast cancer cells
J Min, VS Guillen, A Sharma, Y Zhao, Y Ziegler, P Gong, CG Mayne, ...
Journal of medicinal chemistry 60 (14), 6321-6336, 2017
Adaptive Multilevel Splitting in Molecular Dynamics Simulations
D Aristoff, T Lelièvre, CG Mayne, I Teo
ESAIM: Proceedings and Surveys 48, 215-225, 2015
A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus ion channel
MJ Arcario, CG Mayne, E Tajkhorshid
Journal of Biological Chemistry 292 (23), 9480-9492, 2017
Enhancing Mn (II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome c Peroxidase through Fine-Tuning Secondary-Sphere Interactions
P Hosseinzadeh, EN Mirts, TD Pfister, YG Gao, C Mayne, H Robinson, ...
Biochemistry 55 (10), 1494-1502, 2016
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