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
192 2012 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
189 2019 Theoretical and computational protein design I Samish, CM MacDermaid, JM Perez-Aguilar, JG Saven
Annual review of physical chemistry 62 (1), 129-149, 2011
183 2011 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
70 2015 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
62 2014 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
43 2007 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
41 2013 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
30 2015 RNA folding using quantum computers DM Fox, CM MacDermaid, AMA Schreij, M Zwierzyna, RC Walker
PLOS Computational Biology 18 (4), e1010032, 2022
29 2022 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
29 2017 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
28 2022 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
25 2014 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
22 2017 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
19 2020 Dehydration of multilamellar fatty acid membranes: Towards a computational model of the stratum corneum CM MacDermaid, RH DeVane, ML Klein, G Fiorin
Biophysical Journal 108 (2), 243a, 2015
12 2015 Aggregation of poly( S Mogurampelly, CM MacDermaid, S Percec, ML Klein, G Fiorin
Physical Review Materials 3 (1), 015602, 2019
8 2019 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
3 2020 Advanced Modeling of the Human Skin Barrier CM MacDermaid, RH DeVane, ML Klein, G Fiorin
Biophysical Journal 108 (2), 243a, 2015
1 2015 The SPICA Coarse-Grained Force Field for Proteins and Peptides G Fiorin, Y Miyazaki, W Shinoda, CM MacDermaid, H Liu, R DeVane, ...
(No Title), 2021
2021 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 
Michael L KleinTemple UniversityZweryfikowany adres z temple.edu