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Collaborations and top research areas from the last five years
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Solvation Modeling for Next-gen Biomolecule Simulations
Dill, K. (PI), Coutsias, E. (CoPI), Kozakov, D. (CoPI) & Simmerling, C. (CoPI)
National Institute of General Medical Sciences
06/1/20 → 05/31/26
Project: Research
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Funds from Stony Brook Foundation to fund Mini Grants. REACH
Rubin, C. (PI), Brouzes, E. (CoI), Carter, C. (CoI), Chan, M. L. (CoI), Coutsias, E. (CoI), Del Poeta, M. (CoI), Frohman, M. (CoI), Haley, J. (CoI), Hearing, P. (CoI), Ju, J. (CoI), Kaufman, A. (CoI), Kozakov, D. (CoI), Lin, W. (CoI), Ojima, I. (CoI), Panesar, R. (CoI), Pisconti, A. (CoI), Powers, R. (CoI), Qin, Y.-X. (CoI), Sampson, N. (CoI), Seeliger, J. (CoI), Serebryany, E. (CoI), Spaniolas, K. (CoI), Strey, H. (CoI), Sunar, U. (CoI), Thanassi, D. (CoI), Tonge, P. (CoI), Zhang, Y. (CoI), Zhao, W. (CoI), Fabel, D. (CoPI), Alaei, S. (CoI), Bates, A. (CoI), Boros, E. (CoI), Daryaee, F. (CoI), Docimo, S. (CoI), Girnun, G. (CoI), Goldan, A. (CoI), Levy, S. (CoI), Philip, F. (CoI), Pryor, A. D. (CoI), Yang, X. (CoI), Bluestein, D. (CoI), Rafailovich, M. (CoI), Singh, G. (CoI) & Fu, S. (CoI)
12/20/15 → 06/30/27
Project: Research
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Moduli Spaces of Polygons with Applications to Protein-Macrocycle Docking
Coutsias, E. (PI) & Kozakov, D. (CoPI)
08/1/21 → 07/31/25
Project: Research
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Computations on Peptide and Macrocyles
Dill, K. (PI), Coutsias, E. (CoPI), Morrone, J. (CoPI) & Perez, A. (CoPI)
Merck Sharp and Dohme Limited Liability Corporation
09/28/15 → 09/30/17
Project: Research
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Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16
Ashizawa, R., Kotelnikov, S., Khan, O., Li, S. X., Glukhov, E., Cao, X., Lazou, M., Bekar-Cesaretli, A., Hailegeorgis, D., Averkava, V., Zhu, Y., Jones, G., Yu, H., Kalitin, D., Stepanenko, D., Koirala, K., Patsahan, T., Beglov, D., Lukin, M. & Joseph-McCarthy, D. & 7 others, , Jan 2026, In: Proteins: Structure, Function and Bioinformatics. 94, 1, p. 183-191 9 p.Research output: Contribution to journal › Article › peer-review
Open Access5 Scopus citations -
InSty: A ProDy Module for Evaluating Protein Interactions and Stability
Mikulska-Ruminska, K., Krieger, J. M., Banerjee, A., Cao, X., Wu, G., Bogetti, A. T., Zhang, F., Simmerling, C., Coutsias, E. A. & Bahar, I., Aug 1 2025, In: Journal of Molecular Biology. 437, 15, 169009.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
Exact Analytical Algorithm for the Solvent-Accessible Surface Area and Derivatives in Implicit Solvent Molecular Simulations on GPUs
Cao, X., Hummel, M. H., Wang, Y., Simmerling, C. & Coutsias, E. A., Jun 11 2024, In: Journal of Chemical Theory and Computation. 20, 11, p. 4456-4468 13 p.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations -
Accurate ligand–protein docking in CASP15 using the ClusPro LigTBM server
Kotelnikov, S., Ashizawa, R., Popov, K. I., Khan, O., Ignatov, M., Li, S. X., Hassan, M., Coutsias, E. A., Poda, G., Padhorny, D., Tropsha, A., Vajda, S. & Kozakov, D., Dec 2023, In: Proteins: Structure, Function and Bioinformatics. 91, 12, p. 1822-1828 7 p.Research output: Contribution to journal › Article › peer-review
Open Access5 Scopus citations -
NUMERICALLY STABLE SOLUTION TO THE 6R PROBLEM OF INVERSE KINEMATICS
Cao, X., Coutsias, E. A. & Pollock, S., Jun 2023, In: Advances in Computational Science and Engineering. 1, 2, p. 123-161 39 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations