E-LIB Suche - Ergebnisse für: Coutsias, Evangelos

1

Prody's latest advancements: Gaining insights into protein-..:

Mikulska-Ruminska, Karolina ; Doljanin, Frane ; Krieger, James M....
Biophysical Journal. 123 (2024) 3 - p. 462a , 2024

2

Exact Analytical Algorithm for the Solvent-Accessible Surfa..:

Cao, Xin ; Hummel, Michelle H. ; Wang, Yuzhang..
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4456-4468 , 2024

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

3

Accurate ligand–protein docking in CASP15 using the ClusPro..:

Kotelnikov, Sergei ; Ashizawa, Ryota ; Popov, Konstantin I....
Proteins: Structure, Function, and Bioinformatics. 91 (2023) 12 - p. 1822-1828 , 2023

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

4

Numerically stable algorithm for Inverse Kinematics of 6R p..:

, In: Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics,

Cao, Xin ; Ignatov, Mikhail ; Jones, George... - p. 1 ff. , 2023

Link: https://dl.acm.org/doi/1..

5

Crustwater: Modeling Hydrophobic Solvation:

Yadav, Ajeet Kumar ; Bandyopadhyay, Pradipta ; Coutsias, Evangelos A..
The Journal of Physical Chemistry B. 126 (2022) 32 - p. 6052-6062 , 2022

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

6

BioMThermDB 1.0: Thermophysical Database of Proteins in Sol..:

Nikolić, Mina ; Brudar, Sandi ; Coutsias, Evangelos...
International Journal of Molecular Sciences. 23 (2022) 23 - p. 15371 , 2022

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

7

Kinematic Reconstruction of Cyclic Peptides and Protein Bac..:

Hassan, Mosavverul ; Coutsias, Evangelos A.
Journal of Chemical Information and Modeling. 61 (2021) 10 - p. 4975-5000 , 2021

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

8

Protein secondary structure motifs: A kinematic constructio:

Hassan, Mosavverul ; Coutsias, Evangelos A.
Journal of Computational Chemistry. 42 (2020) 5 - p. 271-292 , 2020

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

9

Sampling and refinement protocols for template-based macroc..:

Kotelnikov, Sergei ; Alekseenko, Andrey ; Liu, Cong...
Journal of Computer-Aided Molecular Design. 34 (2019) 2 - p. 179-189 , 2019

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

10

RMSD and Symmetry:

Coutsias, Evangelos A. ; Wester, Michael J.
Journal of Computational Chemistry. 40 (2019) 15 - p. 1496-1508 , 2019

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

11

Tribute to Ken A. Dill:

Hribar-Lee, Barbara ; Seok, Chaok ; Coutsias, Evangelos.
The Journal of Physical Chemistry B. 122 (2018) 21 - p. 5261-5262 , 2018

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

12

Characterization of Biomolecular Helices and Their Compleme..:

Hauser, Kevin ; He, Yiqing ; Garcia-Diaz, Miguel..
Journal of Chemical Information and Modeling. 57 (2017) 4 - p. 864-874 , 2017

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

13

Accurate de novo design of hyperstable constrained peptides:

Bhardwaj, Gaurav ; Mulligan, Vikram Khipple ; Bahl, Christopher D....
Nature. 538 (2016) 7625 - p. 329-335 , 2016

Link: https://doi.org/10.1038/..

14

Exhaustive Conformational Sampling of Complex Fused Ring Ma..:

Coutsias, Evangelos A. ; Lexa, Katrina W. ; Wester, Michael J...
Journal of Chemical Theory and Computation. 12 (2016) 9 - p. 4674-4687 , 2016

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

15

Flexibility of Bricard's linkages and other structures via ..:

Lewis, Robert H. ; Coutsias, Evangelos A.
Mathematics and Computers in Simulation. 125 (2016) - p. 152-167 , 2016

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