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Michael L. Klein

Dean, College of Science and Technology
​Laura H. Carnell Professor of Science
Theory/Computation
Office: SERC 704E
Phone: 215-204-1327
Send an email
​Visit website

Biography

1964-1968

1964

1961

Selected Awards
Postdoctoral researcher, Italy, UK, USA

Ph.D. University of Bristol, UK

B.S. University of Bristol, UK

Boys - Rahman Prize, Royal Society of Chemistry, United Kingdom. Peter Debye Award in Physical Chemistry, American Chemical Society. CNR Rao Award Chemical Research Society of India. Bernie J Alder CECAM Prize in Computational Science, European Physical Society. Aneesur Rahman Prize for Computational Physics, American Physical Society

Interests

My research group use theoretical and computational methods to study solids, liquids and assemblies of macromolecules, including those relevant to living organisms. Over the past five decades we have developed methodologies and carried out simulations to understand the dynamical behavior of solids and liquids, the structure of water and organic solutions, the phase behavior of surfactants and biological lipids, and the dynamics of proteins and other biological macromolecules. 

Select Publications

Probing the Gold/Water Interface with Surface-Specific Spectroscopy 
SM Piontek, D Naujoks, T Tabassum, MJ DelloStritto, M Jaugstetter, P Hosseini, M Corva, A Ludwig, K Tschulik, ML Klein, PB Petersen 
ACS Physical Chemistry Au (2023) 
 
Adaptive insertion of a hydrophobic anchor into a poly (ethylene glycol) host for programmable surface functionalization 
S Zhang, W Li, J Luan, A Srivastava, V Carnevale, ML Klein, J Sun, D Wang, SP Teora, SJ Rijpkema, JD Meeldijk, DA Wilson 
Nature Chemistry (2022) https://doi.org/10.1038/s41557-022-01090-0 
 
Dissolving salt is not equivalent to applying a pressure on water 
C Zhang, S Yue, AZ Panagiotopoulos, ML Klein, X Wu 
Nature Communications 13 (1): 1-6 (2022) 
 
Co-assembly of liposomes, Dendrimersomes, and Polymersomes with amphiphilic Janus dendrimers conjugated to Mono-and Tris-Nitrilotriacetic Acid (NTA, TrisNTA) enhances protein recruitment 
Q Xiao, N Rivera-Martinez, CJ Raab, JG Bermudez, MC Good, ML Klein, V Percec 
Giant 9: 100089 (2022) 
 
Understanding the Dynamics of the Structural States of Cannabinoid Receptors and the Role of Different Modulators 
A Manandhar, MH Haron, ML Klein, K Elokely 
Life 12 (12): 2137 (2022) 
 
SPICA Force Field for Proteins and Peptides 
S Kawamoto, H Liu, Y Miyazaki, S Seo, M Dixit, R DeVane, C MacDermaid, G Fiorin, ML Klein, W Shinoda 
Journal of Chemical Theory and Computation 18 (5): 3204-3217 (2022) 
 
Superhydrophilicity of α-alumina surfaces results from tight binding of interfacial waters to specific aluminols 
R Wang, Y Zou, RC Remsing, NO Ross, ML Klein, V Carnevale, E Borguet 
Journal of Colloid and Interface Science 628(Pt A): 943-954 (2022) 
 
Modeling liquid water by climbing up Jacob’s ladder in density functional theory facilitated by using deep neural network potentials 
C Zhang, F Tang, M Chen, J Xu, L Zhang, DY Qiu, JP Perdew, ML Klein, X Wu 
The Journal of Physical Chemistry B 125 (41): 11444-11456 (2021) 
 
Enhanced concanavalin A binding to preorganized mannose nanoarrays in glycodendrimersomes revealed multivalent interactions 
N Yu. Kostina, D Söder, T Haraszti, Q Xiao, K Rahimi, BE Partridge, ML Klein, V Percec, C Rodriguez‐Emmenegger 
Angewandte Chemie 133 (15): 8433-8441 (2021) 
 
Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4–S5 linker in activation and slow inactivation 
J Xiao, V Bondarenko, Y Wang, A Suma, M Wells, Q Chen, T Tillman, Y Luo, BW Yu, WP Dailey, R Eckenhoff, P Tang, V Carnevale, ML Klein, Y Xu 
Proceedings of the National Academy of Sciences 118 (28): e2102285118 (2021) 

TEMPLE UNIVERSITY
COLLEGE OF SCIENCE AND TECHNOLOGY
DEPARTMENT OF chemistry

Department of Chemistry
Temple University
1901 N. 13th St.
Philadelphia, PA 19122-6081
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