Utilization of hydrogen bonds to stabilize M− O (H) units: Synthesis and properties of monomeric iron and manganese complexes with terminal oxo and hydroxo ligands CE MacBeth, R Gupta, KR Mitchell-Koch, VG Young Jr, GH Lushington, ... Journal of the American Chemical Society 126 (8), 2556-2567, 2004 | 220 | 2004 |
High-precision megahertz-to-terahertz dielectric spectroscopy of protein collective motions and hydration dynamics A Charkhesht, CK Regmi, KR Mitchell-Koch, S Cheng, NQ Vinh The Journal of Physical Chemistry B 122 (24), 6341-6350, 2018 | 76 | 2018 |
The study and application of biomolecules in deep eutectic solvents JA Kist, H Zhao, KR Mitchell-Koch, GA Baker Journal of Materials Chemistry B 9 (3), 536-566, 2021 | 73 | 2021 |
How does solvation layer mobility affect protein structural dynamics? JN Dahanayake, KR Mitchell-Koch Frontiers in molecular biosciences 5, 65, 2018 | 67 | 2018 |
Entropy connects water structure and dynamics in protein hydration layer JN Dahanayake, KR Mitchell-Koch Physical Chemistry Chemical Physics 20 (21), 14765-14777, 2018 | 60 | 2018 |
On the reorientation and hydrogen-bond dynamics of alcohols AA Vartia, KR Mitchell-Koch, G Stirnemann, D Laage, WH Thompson The Journal of Physical Chemistry B 115 (42), 12173-12178, 2011 | 57 | 2011 |
New insights into the dynamics of zwitterionic micelles and their hydration waters by gigahertz-to-terahertz dielectric spectroscopy DK George, A Charkhesht, OA Hull, A Mishra, DGS Capelluto, ... The Journal of Physical Chemistry B 120 (41), 10757-10767, 2016 | 38 | 2016 |
Progress in Our Understanding of 19F Chemical Shifts JN Dahanayake, C Kasireddy, JP Karnes, R Verma, RM Steinert, ... Annual Reports on NMR Spectroscopy 93, 281-365, 2018 | 31 | 2018 |
Molecular modeling of cetylpyridinium bromide, a cationic surfactant, in solutions and micelle R Verma, A Mishra, KR Mitchell-Koch Journal of chemical theory and computation 11 (11), 5415-5425, 2015 | 29 | 2015 |
Evaluating computational predictions of the relative stabilities of polymorphic pharmaceuticals KR Mitchell-Koch, AJ Matzger Journal of pharmaceutical sciences 97 (6), 2121-2129, 2008 | 25 | 2008 |
How important is entropy in determining the position-dependent free energy of a solute in a nanoconfined solvent? KR Mitchell-Koch, WH Thompson The Journal of Physical Chemistry C 111 (32), 11991-12001, 2007 | 25 | 2007 |
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous 19 F-NMR spectra of fluorohistidine isomers and analogues C Kasireddy, JG Bann, KR Mitchell-Koch Physical Chemistry Chemical Physics 17 (45), 30606-30612, 2015 | 24 | 2015 |
Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics JN Dahanayake, E Shahryari, KM Roberts, ME Heikes, C Kasireddy, ... Journal of chemical information and modeling 59 (5), 2407-2422, 2019 | 23 | 2019 |
In silico studies of small molecule interactions with enzymes reveal aspects of catalytic function R Verma, K Mitchell-Koch Catalysts 7 (7), 212, 2017 | 23 | 2017 |
Tuning cationic micelle properties with an antioxidant additive: a molecular perspective V Kumar, GM Sai, R Verma, KR Mitchell-Koch, D Ray, VK Aswal, ... Langmuir 37 (15), 4611-4621, 2021 | 21 | 2021 |
To keep or not to keep? the question of crystallographic waters for enzyme simulations in organic solvent JN Dahanayake, DN Gautam, R Verma, KR Mitchell-Koch Molecular simulation 42 (12), 1001-1013, 2016 | 19 | 2016 |
Evaluating electronic structure methods for accurate calculation of 19F chemical shifts in fluorinated amino acids JN Dahanayake, C Kasireddy, JM Ellis, D Hildebrandt, OA Hull, ... Journal of computational chemistry 38 (30), 2605-2617, 2017 | 14 | 2017 |
Infrared Spectra of a Model Phenol-Amine Proton Transfer Complex in Nanoconfined CH3Cl KR Mitchell-Koch, WH Thompson* The Journal of Physical Chemistry B 112 (25), 7448-7459, 2008 | 14 | 2008 |
Self-assembly and micellar transition in CTAB solutions triggered by 1-Octanol V Kumar, KR Mitchell-Koch, SG Marapureddy, R Verma, P Thareja, ... The Journal of Physical Chemistry B 126 (40), 8102-8111, 2022 | 9 | 2022 |
Probing adaptation of hydration and protein dynamics to temperature LC Doan, JN Dahanayake, KR Mitchell-Koch, AK Singh, NQ Vinh ACS omega 7 (25), 22020-22031, 2022 | 7 | 2022 |