E-LIB Suche - Ergebnisse für: Wong, Chung F.

1

Quantitative Prediction of Dissociation Rates of PYK2 Ligan..:

Spiriti, Justin ; Wong, Chung F.
Journal of Chemical Theory and Computation. , 2024

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

2

How areN-methylcarbamates encapsulated by β-cyclodextrin: i..:

Bao, Xiaofang ; Liu, Xiao ; Dou, Ran...
Physical Chemistry Chemical Physics. 25 (2023) 20 - p. 13923-13932 , 2023

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

3

Simulation of ligand dissociation kinetics from the protein..:

Spiriti, Justin ; Noé, Frank ; Wong, Chung F.
Journal of Computational Chemistry. 43 (2022) 28 - p. 1911-1922 , 2022

Link: https://doi.org/10.1002/..

4

Milestoning simulation of ligand dissociation from the glyc..:

Rathnayake, Samith ; Narayan, Brajesh ; Elber, Ron.
Proteins: Structure, Function, and Bioinformatics. 91 (2022) 2 - p. 209-217 , 2022

Link: https://doi.org/10.1002/..

5

Why 2,6-di-methyl-β-cyclodextrin can encapsulate OH-substit..:

Chen, Ke ; Ye, Renlong ; Liu, Xiao...
Computational and Theoretical Chemistry. 1206 (2021) - p. 113496 , 2021

Link: https://doi.org/10.1016/..

6

Qualitative Prediction of Ligand Dissociation Kinetics from..:

Spiriti, Justin ; Wong, Chung F.
Life. 11 (2021) 2 - p. 74 , 2021

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

7

EDock‐ML: A web server for using ensemble docking with mach..:

Chandak, Tanay ; Wong, Chung F.
Protein Science. 30 (2021) 5 - p. 1087-1097 , 2021

Link: https://doi.org/10.1002/..

8

Why heptakis(2,3-di-O-acetyl)-β-cyclodextrin can separate t..:

Dou, Ran ; Chen, Ke ; Chi, Guoli...
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 100 (2021) 3-4 - p. 189-195 , 2021

Link: https://doi.org/10.1007/..

9

Using machine learning to improve ensemble docking for drug..:

Chandak, Tanay ; Mayginnes, John P. ; Mayes, Howard.
Proteins: Structure, Function, and Bioinformatics. 88 (2020) 10 - p. 1263-1270 , 2020

Link: https://doi.org/10.1002/..

10

Steered molecular dynamics simulations for uncovering the m..:

Wong, Chung F.
Journal of Computational Chemistry. 39 (2018) 19 - p. 1307-1318 , 2018

Link: https://doi.org/10.1002/..

11

Tribute to J. Andrew McCammon:

Amaro, Rommie E. ; Madura, Jeffry D. ; Wong, Chung F.
The Journal of Physical Chemistry B. 120 (2016) 33 - p. 8055-8056 , 2016

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

12

Variable van der Waals Radii Derived From a Hybrid Gaussian..:

Ye, Renlong ; Nie, Xuemei ; Wong, Chung F....
Zeitschrift für Physikalische Chemie. 230 (2016) 5-7 - p. 681-701 , 2016

Link: https://doi.org/10.1515/..

13

Exploring host–guest complexation mechanisms by a molecular..:

Ye, Renlong ; Nie, Xuemei ; Zhou, Yumei...
Chemical Physics Letters. 648 (2016) - p. 170-177 , 2016

Link: https://doi.org/10.1016/..

14

Conformational transition paths harbor structures useful fo..:

Wong, Chung F.
Protein Science. 25 (2015) 1 - p. 192-203 , 2015

Link: https://doi.org/10.1002/..

15

Inexpensive Method for Selecting Receptor Structures for Vi..:

Huang, Zunnan ; Wong, Chung F.
Journal of Chemical Information and Modeling. 56 (2015) 1 - p. 21-34 , 2015

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