화학공학소재연구정보센터
검색결과 : 45건
No. Article
1 Strong Anisotropy in Liquid Water upon Librational Excitation Using Terahertz Laser Fields
Novelli F, Pestana LR, Bennett KC, Sebastiani F, Adams EM, Stavrias N, Ockelmann T, Colchero A, Hoberg C, Schwaab G, Head-Gordon T, Havenith M
Journal of Physical Chemistry B, 124(24), 4989, 2020
2 Local FK506 dose-dependent study using a novel three-dimensional organotypic assay
Tajdaran K, Chan K, Zhang J, Gordon T, Borschel GH
Biotechnology and Bioengineering, 116(2), 405, 2019
3 Computational Design of Synthetic Enzymes
Welborn VV, Head-Gordon T
Chemical Reviews, 119(11), 6613, 2019
4 Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2-center dot and Pyridine and Imidazole
Loipersberger M, Lee J, Mao YZ, Das AK, Ikeda K, Thirman J, Head-Gordon T, Head-Gordon M
Journal of Physical Chemistry A, 123(44), 9621, 2019
5 Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data
Qiu YD, Nerenberg PS, Head-Gordon T, Wang LP
Journal of Physical Chemistry B, 123(32), 7061, 2019
6 Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid Isomerase
Welborn VV, Head-Gordon T
Journal of the American Chemical Society, 141(32), 12487, 2019
7 Solvent Entropy Contributions to Catalytic Activity in Designed and Optimized Kemp Eliminases
Belsare S, Pattni V, Heyden M, Head-Gordon T
Journal of Physical Chemistry B, 122(21), 5300, 2018
8 Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study
Carr AC, Felberg LE, Piunova VA, Rice JE, Head-Gordon T, Swope WC
Journal of Physical Chemistry B, 121(13), 2902, 2017
9 Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
Wang LP, McKiernan KA, Gomes J, Beauchamp KA, Head-Gordon T, Rice JE, Swope WC, Martinez TJ, Pande VS
Journal of Physical Chemistry B, 121(16), 4023, 2017
10 The Importance of the Scaffold for de Novo Enzymes: A Case Study with Kemp Eliminase
Bhowmick A, Sharma SC, Head-Gordon T
Journal of the American Chemical Society, 139(16), 5793, 2017