P
Peter Minary
Researcher at University of Oxford
Publications - 38
Citations - 1455
Peter Minary is an academic researcher from University of Oxford. The author has contributed to research in topics: Molecular dynamics & Nucleosome. The author has an hindex of 19, co-authored 36 publications receiving 1271 citations. Previous affiliations of Peter Minary include New York University & Stanford University.
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On the use of the adiabatic molecular dynamics technique in the calculation of free energy profiles
TL;DR: In this paper, a new molecular dynamics method for calculating free energy profiles for rare events is presented based on the creation of an adiabatic separation between a reaction coordinate subspace and the remaining degrees of freedom within a molecular dynamics run.
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Ab initio molecular dynamics: Concepts, recent developments, and future trends
TL;DR: The purpose of this work is to give a brief introduction to the technique and to review several important recent developments in the field.
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Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Ignacio Moraga,Gerlinde Wernig,Stephan Wilmes,Vitalina Gryshkova,Christian Richter,Wan-Jen Hong,Rahul Sinha,Feng Guo,Hyna Fabionar,Tom S. Wehrman,Peter O. Krutzik,Samuel Demharter,Isabelle Plo,Irving L. Weissman,Peter Minary,Ravindra Majeti,Stefan N. Constantinescu,Jacob Piehler,K. Christopher Garcia +18 more
TL;DR: Diabodies used as surrogate ligands in a prototypical dimeric receptor-ligand system to dimerize EpoR ectodomains in non-native architectures inhibited proliferation of erythroid precursors from patients with a myeloproliferative neoplasm due to a constitutively active JAK2V617F mutation.
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Modeling nucleic acids.
TL;DR: This work focuses on four key areas of nucleic acid modeling: molecular representation, potential energy function, degrees of freedom and sampling algorithm, and how appropriate choices in each can effectively combine to aid interpretation of experimental data and facilitate prediction ofucleic acid structure.
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Long time molecular dynamics for enhanced conformational sampling in biomolecular systems
TL;DR: A novel set of equations of motion and a reversible, resonance-free, integrator are designed which permit step sizes on the order of 100 fs to be used.