E-LIB Suche - Ergebnisse für: Kasavajhala, Koushik

1

Exploring the Transferability of Replica Exchange Structure..:

Kasavajhala, Koushik ; Simmerling, Carlos
Journal of Chemical Theory and Computation. , 2023

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

2

Benchmarking Refined and Unrefined AlphaFold2 Structures fo..:

Zhang, Yuqi ; Vass, Marton ; Shi, Da...
Journal of Chemical Information and Modeling. 63 (2023) 6 - p. 1656-1667 , 2023

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

3

AmberTools:

Case, David A. ; Aktulga, Hasan Metin ; Belfon, Kellon...
Journal of Chemical Information and Modeling. 63 (2023) 20 - p. 6183-6191 , 2023

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

4

Accelerating the Ensemble Convergence of RNA Hairpin Simula..:

Lam, Kenneth ; Kasavajhala, Koushik ; Gunasekera, Sarah.
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3930-3947 , 2022

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

5

Exploring Protocols to Build Reservoirs to Accelerate Tempe..:

Kasavajhala, Koushik ; Lam, Kenneth ; Simmerling, Carlos
Journal of Chemical Theory and Computation. 16 (2020) 12 - p. 7776-7799 , 2020

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

6

ff19SB: Amino-Acid-Specific Protein Backbone Parameters Tra..:

Tian, Chuan ; Kasavajhala, Koushik ; Belfon, Kellon A. A....
Journal of Chemical Theory and Computation. 16 (2019) 1 - p. 528-552 , 2019

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

7

Role of Urea–Aromatic Stacking Interactions in Stabilizing ..:

Goyal, Siddharth ; Chattopadhyay, Aditya ; Kasavajhala, Koushik.
Journal of the American Chemical Society. 139 (2017) 42 - p. 14931-14946 , 2017

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

8

ff14SB: Improving the Accuracy of Protein Side Chain and Ba..:

Maier, James A. ; Martinez, Carmenza ; Kasavajhala, Koushik...
Journal of Chemical Theory and Computation. 11 (2015) 8 - p. 3696-3713 , 2015

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

9

Dispersion Interactions between Urea and Nucleobases Contri..:

Kasavajhala, Koushik ; Bikkina, Swetha ; Patil, Indrajit..
The Journal of Physical Chemistry B. 119 (2015) 9 - p. 3755-3761 , 2015

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

10

Extracting representative structures from protein conformat..:

Perez, Alberto ; Roy, Arijit ; Kasavajhala, Koushik...
Proteins: Structure, Function, and Bioinformatics. 82 (2014) 10 - p. 2671-2680 , 2014

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

11

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Belfon, Kellon...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598796/. , 2023

Link: http://www.ncbi.nlm.nih...

12

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Belfon, Kellon...
qt18k754mz. , 2023

Link: https://escholarship.org..

13

AmberTools:

Case, David A ; Aktulga, Hasan Metin ; Izadi, Saeed...
info:eu-repo/semantics/altIdentifier/wos/WOS:001083258000001. , 2023

Link: https://juser.fz-juelich..

14

Accelerating the Ensemble Convergence of RNA Hairpin Simula..:

Lam, Kenneth ; Kasavajhala, Koushik ; Gunasekera, Sarah.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10658646/. , 2022

Link: http://www.ncbi.nlm.nih...

15

Exploring Protocols to Build Reservoirs to Accelerate Tempe..:

Kasavajhala, Koushik ; Lam, Kenneth ; Simmerling, Carlos
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7725893/. , 2020

Link: http://www.ncbi.nlm.nih...