Now showing items 31-40 of 95
A strategy for proline and glycine mutations to proteins with alchemical free energy calculations
(John Wiley & Sons, Inc., 2021-06-05)
Computation of the thermodynamic consequences of protein mutations holds great promise in protein biophysics and design. Alchemical free energy methods can give improved estimates of mutational free energies, and are already ...
Palladium‐Mediated Cγ−H Functionalization of Alicyclic Amines
(SpringerWiley Periodicals, Inc., 2021-05-10)
This paper describes a new method for the transannular functionalization of the γ‐C−H bonds in alicyclic amines to install C(sp3)−halogen, oxygen, nitrogen, boron, and sulfur bonds. The key challenge for this transformation ...
Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units
(John Wiley & Sons, Inc., 2020-03-30)
ProTrack: An Interactive Multi‐Omics Data Browser for Proteogenomic Studies
(Wiley Periodicals, Inc., 2020-11)
The Clinical Proteomic Tumor Analysis Consortium (CPTAC) initiative has generated extensive multi‐omics data resources of deep proteogenomic profiles for multiple cancer types. To enable the broader community of biological ...
Katalyse und Elektronentransfer in helikalen De‐novo‐Gerüststrukturen
(CRC PressWiley Periodicals, Inc., 2020-05-11)
Die Frage nach der Beziehung zwischen der Struktur und der Funktion von Proteinen ist eines der größten Rätsel der Biochemie. Das De‐novo‐Design von Metalloproteinen bietet die Möglichkeit, neu zu bestimmen, was nötig ist, ...
Preparation of planar and hydrophobic benzocyclobutene‐based dielectric material from biorenewable rosin
(John Wiley & Sons, Inc., 2020-07-10)
A rosin‐based monomer with thermally crosslinkable benzocyclobutene groups was synthesized in this study. The structure of the monomer was examined using mass spectroscopy, Fourier transform infrared spectroscopy, and ...
Comparison of Proteomic Assessment Methods in Multiple Cohort Studies
(Humana PressWiley Periodicals, Inc., 2020-06)
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework
(John Wiley & Sons, Inc., 2021-03)
Effects of stereoisomeric structure and bond location on the ignition and reaction pathways of hexenes
(Wiley Periodicals, Inc., 2021-02)
The current work presents new experimental autoignition and speciation data on the two cis- hexene isomers: cis- 2- hexene and cis- 3- hexene. The new data provide insights on the effects of carbon- carbon double ...
Frontispiz: Diverse Nanoassemblies of Graphene Quantum Dots and Their Mineralogical Counterparts
(Wiley Periodicals, Inc., 2020-05-25)