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Chris MacDermaid
Chris MacDermaid
Scientific Leader @ GSK
Verified email at gsk.com - Homepage
Title
Cited by
Cited by
Year
Computational design of a protein crystal
CJ Lanci, CM MacDermaid, S Kang, R Acharya, B North, X Yang, XJ Qiu, ...
Proceedings of the National Academy of Sciences 109 (19), 7304-7309, 2012
1802012
Theoretical and computational protein design
I Samish, CM MacDermaid, JM Perez-Aguilar, JG Saven
Annual review of physical chemistry 62, 129-149, 2011
1712011
Chiral synthesis of LSD1 inhibitor GSK2879552 enabled by directed evolution of an imine reductase
M Schober, C MacDermaid, AA Ollis, S Chang, D Khan, J Hosford, ...
Nature Catalysis 2 (10), 909-915, 2019
1542019
Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes
CM MacDermaid, HK Kashyap, RH DeVane, W Shinoda, JB Klauda, ...
The Journal of chemical physics 143 (24), 2015
632015
Engineering complementary hydrophobic interactions to control β-hairpin peptide self-assembly, network branching, and hydrogel properties
S Sathaye, H Zhang, C Sonmez, JP Schneider, CM MacDermaid, ...
Biomacromolecules 15 (11), 3891-3900, 2014
562014
Origins of the helical wrapping of phenyleneethynylene polymers about single-walled carbon nanotubes
CD Von Bargen, CM MacDermaid, OS Lee, P Deria, MJ Therien, ...
The Journal of Physical Chemistry B 117 (42), 12953-12965, 2013
432013
Electrostatic polarization is crucial for reproducing pKa shifts of carboxylic residues in turkey ovomucoid third domain
CM MacDermaid, GA Kaminski
The Journal of Physical Chemistry B 111 (30), 9036-9044, 2007
422007
Self-interrupted synthesis of sterically hindered aliphatic polyamide dendrimers
D Jishkariani, CM MacDermaid, YN Timsina, S Grama, SS Gillani, M Divar, ...
Proceedings of the National Academy of Sciences 114 (12), E2275-E2284, 2017
282017
Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment
N Tanaka, EV Dutrow, K Miyadera, L Delemotte, CM MacDermaid, ...
PLoS One 10 (9), e0138943, 2015
272015
Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase
S Xiao, ML Klein, DN LeBard, BG Levine, H Liang, CM MacDermaid, ...
The journal of physical chemistry B 118 (4), 873-889, 2014
242014
SPICA force field for proteins and peptides
S Kawamoto, H Liu, Y Miyazaki, S Seo, M Dixit, R DeVane, ...
Journal of Chemical Theory and Computation 18 (5), 3204-3217, 2022
202022
Controlling association and separation of gold nanoparticles with computationally designed zinc-coordinating proteins
MJ Eibling, CM MacDermaid, Z Qian, CJ Lanci, SJ Park, JG Saven
Journal of the American Chemical Society 139 (49), 17811-17823, 2017
182017
RNA folding using quantum computers
DM Fox, CM MacDermaid, AMA Schreij, M Zwierzyna, RC Walker
PLOS Computational Biology 18 (4), e1010032, 2022
172022
Coexistence of lipid phases stabilizes interstitial water in the outer layer of mammalian skin
CM MacDermaid, KW Hall, RH DeVane, ML Klein, G Fiorin
Biophysical Journal 118 (7), 1588-1601, 2020
142020
Dehydration of multilamellar fatty acid membranes: Towards a computational model of the stratum corneum
CM MacDermaid, RH DeVane, ML Klein, G Fiorin
The Journal of Chemical Physics 141 (22), 2014
132014
Aggregation of poly(-phenylene terephthalamide) chains: Emergence of fiber defects
S Mogurampelly, CM MacDermaid, S Percec, ML Klein, G Fiorin
Physical Review Materials 3 (1), 015602, 2019
62019
Directed evolution of enzymes driving innovation in API manufacturing at GSK
J Latham, AA Ollis, C MacDermaid, K Honicker, D Fuerst, GD Roiban
Applied Biocatalysis: The Chemist's Enzyme Toolbox, 1-25, 2020
32020
Advanced Modeling of the Human Skin Barrier
CM MacDermaid, RH DeVane, ML Klein, G Fiorin
Biophysical Journal 108 (2), 243a, 2015
12015
Simulations at multiple scales reconcile lipid membrane structure with the barrier function of mammalian skin
G Fiorin, C MacDermaid, R Devane, M Klein
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Divergent synthesis of four generations of aliphatic polyamide dendrimers
Y Timsina, D Jishkariani, S Grama, C MacDermaid, S Gillani, M Divar, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
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