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Journal of Computational Chemistry|November 14, 2019
A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer ProteinsHyea Hwang, Anthony Hazel, Peng Lian, et al.
Biochimica Et Biophysica Acta. General Subjects|December 19, 2020
The carboxylation status of osteocalcin has important consequences for its structure and dynamicsKaran Kapoor, Min Pi, Satoru Kenneth Nishimoto, et al.
Environmental Science & Technology|September 28, 2020
Molecular Dynamics Simulation of the Structures, Dynamics, and Aggregation of Dissolved Organic MatterDeepa Devarajan, Liyuan Liang, Baohua Gu, et al.
Iucrj|May 3, 2017
Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drugMayank Aggarwal, Andrey Y Kovalevsky, Hector Velazquez, et al.
FASEB Bioadvances|October 14, 2024
Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signalingRupesh Agarwal, Ruisong Ye, Micholas Dean Smith, et al.
Biomacromolecules|December 29, 2023
Atomistic Simulations of Polydisperse Lignin Melts Using Simple Polydisperse Residue Input GeneratorVaidyanathan Sethuraman, Josh V Vermaas, Luna Liang, et al.
Frontiers in Molecular Biosciences|September 3, 2019
Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered ProteinsOmar Demerdash, Utsab R Shrestha, Loukas Petridis, et al.
Physical Review Letters|August 25, 2004
Direct determination of vibrational density of states change on ligand binding to a proteinErika Balog, Torsten Becker, Martin Oettl, et al.
The Journal of Physical Chemistry. B|July 1, 2016
Homolytic Cleavage of Both Heme-Bound Hydrogen Peroxide and Hydrogen Sulfide Leads to the Formation of SulfhemeHector D Arbelo-Lopez, Nikolay A Simakov, Jeremy C Smith, et al.
Journal of the American Chemical Society|October 27, 2005
Catalytic transesterification of dialkyl phosphates by a bioinspired dicopper(II) macrocyclic complexMalgorzata Jagoda, Sabine Warzeska, Hans Pritzkow, et al.
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