Nicolae-Viorel Buchete, Ph.D.
Affiliations: | 2003 | Boston University, Boston, MA, United States |
Area:
protein dynamics and thermodynamics using theoretical and computational methodsGoogle:
"Nicolae-Viorel Buchete"Mean distance: 8.87 | S | N | B | C | P |
Parents
Sign in to add mentor| John E. Straub | grad student | 2003 | Boston University | |
| (Theoretical and computational coarse -grained models for the study of molecular systems.) | ||||
Children
Sign in to add trainee| Bartlomiej Tywoniuk | grad student | 2013- | School of Physics, University College Dublin (Neurotree) |
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Publications
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| Narayan B, Yuan Y, Fathizadeh A, et al. (2020) Long-time methods for molecular dynamics simulations: Markov State Models and Milestoning. Progress in Molecular Biology and Translational Science. 170: 215-237 |
| Duffy F, Maheshwari N, Buchete NV, et al. (2019) Computational Opportunities and Challenges in Finding Cyclic Peptide Modulators of Protein-Protein Interactions. Methods in Molecular Biology (Clifton, N.J.). 2001: 73-95 |
| Tywoniuk B, Yuan Y, McCartan S, et al. (2018) Amyloid Fibril Design: Limiting Structural Polymorphism in Alzheimer's Aβ Protofilaments. The Journal of Physical Chemistry. B |
| Narayan B, Herbert C, Yuan Y, et al. (2018) Conformational analysis of replica exchange MD: Temperature-dependent Markov networks for FF amyloid peptides. The Journal of Chemical Physics. 149: 072323 |
| Tofoleanu F, Yuan Y, Pickard FC, et al. (2018) Structural Modulation of Human Amylin Protofilaments by Naturally-Occurring Mutations. The Journal of Physical Chemistry. B |
| Leahy CT, Kells A, Hummer G, et al. (2017) Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics. 147: 152725 |
| Martini L, Kells A, Covino R, et al. (2017) Variational Identification of Markovian Transition States Physical Review X. 7 |
| Sánchez-Sanz G, Tywoniuk B, Matallanas D, et al. (2016) SARAH Domain-Mediated MST2-RASSF Dimeric Interactions. Plos Computational Biology. 12: e1005051 |
| Leahy CT, Murphy RD, Hummer G, et al. (2016) Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. The Journal of Physical Chemistry Letters |
| Crowe A, Sánchez-Sanz G, Tywoniuk B, et al. (2016) Coarse Master Equation-Based Analysis of N-Methylation and Temperature Effects on the Dynamics of Cyclic Peptides Biophysical Journal. 110: 379a |