Evangelos A. Coutsias
Affiliations: | 1979- | Mathematics and Statistics | University of New Mexico, Albuquerque, NM, United States |
| 2013- | Applied Mathematics and Statistics | Stony Brook University, Stony Brook, NY, United States |
Area:
MathematicsGoogle:
"Evangelos Coutsias"Children
Sign in to add trainee| Gregory von Winckel | grad student | SUNY Stony Brook (Physics Tree) | |
| Robert H. Wolverton | grad student | 2001 | Univ. of New Mexico |
| Elizabeth A. Burroughs | grad student | 2003 | Univ. of New Mexico |
| Michelle H. Hummel | grad student | 2014 | Univ. of New Mexico |
Collaborators
Sign in to add collaborator| Ken A. Dill | collaborator | (Chemistry Tree) | |
| Dmytro Kozakov | collaborator | (Chemistry Tree) | |
| Carlos Simmerling | collaborator | (Chemistry Tree) |
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Publications
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| Cao X, Hummel MH, Wang Y, et al. (2024) Exact analytical algorithm for solvent accessible surface area and derivatives in implicit solvent molecular simulations on GPUs. Arxiv |
| Nikolić M, Brudar S, Coutsias E, et al. (2022) BioMThermDB 1.0: Thermophysical Database of Proteins in Solutions. International Journal of Molecular Sciences. 23 |
| Yadav AK, Bandyopadhyay P, Coutsias EA, et al. (2022) Crustwater: Modeling Hydrophobic Solvation. The Journal of Physical Chemistry. B. 126: 6052-6062 |
| Kotelnikov S, Alekseenko A, Liu C, et al. (2019) Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4. Journal of Computer-Aided Molecular Design |
| Coutsias EA, Wester MJ. (2019) RMSD and Symmetry. Journal of Computational Chemistry |
| Hummel MH, Yu B, Simmerling C, et al. (2018) LAGUERRE-INTERSECTION METHOD FOR IMPLICIT SOLVATION. International Journal of Computational Geometry & Applications. 28: 1-38 |
| Hauser K, He Y, Garcia-Diaz M, et al. (2017) Characterization of Biomolecular Helices and Their Complementarity Using Geometric Analysis. Journal of Chemical Information and Modeling |
| Coutsias EA, Lexa KW, Wester MJ, et al. (2016) Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics. Journal of Chemical Theory and Computation |
| Perez A, MacCallum JL, Coutsias EA, et al. (2015) Constraint methods that accelerate free-energy simulations of biomolecules. The Journal of Chemical Physics. 143: 243143 |
| Hauser K, Essuman B, He Y, et al. (2015) A human transcription factor in search mode. Nucleic Acids Research |