E-LIB Suche - Ergebnisse für: Wang, Lee-Ping

1

Copper(II) Affects the Biochemical Behavior of Proinsulin C..:

San Juan, Jessica A. ; Chakarawet, Khetpakorn ; He, Zhecheng...
Journal of the American Chemical Society. 145 (2023) 30 - p. 16726-16738 , 2023

Link: https://doi.org/10.1021/..

2

Development and Benchmarking of Open Force Field 2.0.0: The..:

Boothroyd, Simon ; Behara, Pavan Kumar ; Madin, Owen C....
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3251-3275 , 2023

Link: https://doi.org/10.1021/..

3

Source of Rate Acceleration for Carbocation Cyclization in ..:

Nguyen, Quynh Nhu N. ; Xia, Kay T. ; Zhang, Yue...
Journal of the American Chemical Society. 144 (2022) 25 - p. 11413-11424 , 2022

Link: https://doi.org/10.1021/..

4

Benchmarking Density Functionals, Basis Sets, and Solvent M..:

Yeo, Christina ; Nguyen, Minh ; Wang, Lee-Ping
The Journal of Physical Chemistry A. 126 (2022) 42 - p. 7566-7577 , 2022

Link: https://doi.org/10.1021/..

5

Evaluating the Accuracy of the QCEIMS Approach for Computat..:

Lee, Jesi ; Kind, Tobias ; Tantillo, Dean Joseph..
Metabolites. 12 (2022) 1 - p. 68 , 2022

Link: https://doi.org/10.3390/..

6

Exploration and validation of force field design protocols ..:

Ringrose, Chris ; Horton, Joshua T. ; Wang, Lee-Ping.
Physical Chemistry Chemical Physics. 24 (2022) 28 - p. 17014-17027 , 2022

Link: https://doi.org/10.1039/..

7

Improving Force Field Accuracy by Training against Condense..:

Boothroyd, Simon ; Madin, Owen C. ; Mobley, David L....
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3577-3592 , 2022

Link: https://doi.org/10.1021/..

8

Correction to Development and Validation of AMBER-FB15-Comp..:

Stoppelman, John P. ; Ng, Tracey T. ; Nerenberg, Paul S..
The Journal of Physical Chemistry B. 126 (2022) 42 - p. 8596-8596 , 2022

Link: https://doi.org/10.1021/..

9

Open Force Field Evaluator: An Automated, Efficient, and Sc..:

Boothroyd, Simon ; Wang, Lee-Ping ; Mobley, David L...
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3566-3576 , 2022

Link: https://doi.org/10.1021/..

10

Multireference configuration interaction study of the predi..:

Xu, Zhongxing ; Federman, S. R. ; Jackson, William M....
The Journal of Chemical Physics. 157 (2022) 2 - p. , 2022

Link: https://doi.org/10.1063/..

11

Accumulation and Pulse Electron Paramagnetic Resonance Spec..:

Rao, Guodong ; Chen, Nanhao ; Marchiori, David A...
Biochemistry. 61 (2022) 2 - p. 107-116 , 2022

Link: https://doi.org/10.1021/..

12

O-Acetyl Migration within the Sialic Acid Side Chain: A Mec..:

Oh, Lisa ; Ji, Yang ; Li, Wanqing...
Biochemistry. 61 (2022) 18 - p. 2007-2013 , 2022

Link: https://doi.org/10.1021/..

13

Erratum: "Geometry optimization made simple with explicit t..:

Wang, Lee-Ping ; Song, Chenchen
The Journal of Chemical Physics. 157 (2022) 1 - p. , 2022

Link: https://doi.org/10.1063/..

14

SARS-CoV-2 and MERS-CoV Spike Protein Binding Studies Suppo..:

Oh, Lisa ; Varki, Ajit ; Chen, Xi.
Molecules. 27 (2022) 16 - p. 5322 , 2022

Link: https://doi.org/10.3390/..

15

The impact of conformational sampling on first-principles c..:

Reeves, Hannah L ; Wang, Lee-Ping
Glycobiology. 33 (2022) 1 - p. 38-46 , 2022

Link: https://doi.org/10.1093/..