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 |