@article{knapp2015exploring, title = "Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo", author = "Knapp, Bernhard and Demharter, Samuel and Deane, Charlotte M and Minary, Peter", year = "2015", journal = "Bioinformatics", pages = "btv502", publisher = "Oxford University Press", } @article{minary2014training, title = "Training-free atomistic prediction of nucleosome occupancy", author = "Minary, Peter and Levitt, Michael", year = "2014", journal = "Proceedings of the National Academy of Sciences", number = "17", pages = "6293--6298", publisher = "National Acad Sciences", volume = "111", } @article{sim2012modeling, title = "Modeling and design by hierarchical natural moves", author = "Sim, Adelene YL and Levitt, Michael and Minary, Peter", year = "2012", journal = "Proceedings of the National Academy of Sciences", number = "8", pages = "2890--2895", publisher = "National Acad Sciences", volume = "109", } @article{zhang2012multiscale, title = "Multiscale natural moves refine macromolecules using single-particle electron microscopy projection images", author = "Zhang, Junjie and Minary, Peter and Levitt, Michael", year = "2012", journal = "Proceedings of the National Academy of Sciences", number = "25", pages = "9845--9850", publisher = "National Acad Sciences", volume = "109", } @article{sim2012modeling, title = "Modeling nucleic acids", author = "Sim, Adelene YL and Minary, Peter and Levitt, Michael", year = "2012", journal = "Current Opinion in Structural Biology", publisher = "Elsevier", } @article{minary2010conformational, title = "Conformational optimization with natural degrees of freedom: a novel stochastic chain closure algorithm", author = "Minary, Peter and Levitt, Michael", year = "2010", journal = "Journal of Computational Biology", number = "8", pages = "993--1010", publisher = "Mary Ann Liebert, Inc. 140 Huguenot Street, 3rd Floor New Rochelle, NY 10801 USA", volume = "17", } @article{minary2008probing, title = "Probing protein fold space with a simplified model", author = "Minary, Peter and Levitt, Michael", year = "2008", journal = "Journal of molecular biology", number = "4", pages = "920", publisher = "NIH Public Access", volume = "375", } @article{minary2008dynamical, title = "Dynamical spatial warping: A novel method for the conformational sampling of biophysical structure", author = "Minary, Peter and Tuckerman, Mark E and Martyna, Glenn J", year = "2008", journal = "SIAM Journal on Scientific Computing", number = "4", pages = "2055--2083", publisher = "SIAM", volume = "30", } @article{minary2006discussion, title = "Discussion of" EQUI-energy sampler" by Kou, Zhou and Wong", author = "Minary, P and Levitt, M", year = "2006", journal = "Ann. Stat.", number = "math. ST/0611221", pages = "1636--1641", publisher = "math. ST/0507080", volume = "34", } @article{minary2005reaction, title = "Reaction Mechanism of cis-1, 3-Butadiene Addition to the Si (100)-2$\times$ 1 Surface", author = "Minary, Peter and Tuckerman, Mark E", year = "2005", journal = "Journal of the American Chemical Society", number = "4", pages = "1110--1111", publisher = "ACS Publications", volume = "127", } @article{iftimie2005ab, title = "Ab initio molecular dynamics: Concepts, recent developments, and future trends", author = "Iftimie, Radu and Minary, Peter and Tuckerman, Mark E", year = "2005", journal = "Proceedings of the National Academy of Sciences of the United States of America", number = "19", pages = "6654--6659", publisher = "National Acad Sciences", volume = "102", } @article{minary2004long, title = "Long range interactions on wires: A reciprocal space based formalism", author = "Min{\'a}ry, Peter and Morrone, Joseph A and Yarne, Dawn A and Tuckerman, Mark E and Martyna, Glenn J", year = "2004", journal = "The Journal of chemical physics", pages = "11949", volume = "121", } @article{minary2004reaction, title = "Reaction Pathway of the [4+ 2] Diels-Alder Adduct Formation on Si (100)-2$\times$ 1", author = "Minary, Peter and Tuckerman, Mark E", year = "2004", journal = "Journal of the American Chemical Society", number = "43", pages = "13920--13921", publisher = "ACS Publications", volume = "126", } @article{minary2004long, title = "Long time molecular dynamics for enhanced conformational sampling in biomolecular systems", author = "Minary, P and Tuckerman, ME and Martyna, GJ", year = "2004", journal = "Physical review letters", number = "15", pages = "150201", publisher = "APS", volume = "93", } @article{minary2003algorithms, title = "Algorithms and novel applications based on the isokinetic ensemble. II. Ab initio molecular dynamics", author = "Minary, Peter and Martyna, Glenn J and Tuckerman, Mark E", year = "2003", journal = "The Journal of chemical physics", pages = "2527", volume = "118", } @article{minary2003algorithms, title = "Algorithms and novel applications based on the isokinetic ensemble. I. Biophysical and path integral molecular dynamics", author = "Minary, Peter and Martyna, Glenn J and Tuckerman, Mark E", year = "2003", journal = "The Journal of chemical physics", pages = "2510", volume = "118", } @article{tuckerman2002new, title = "A new reciprocal space based treatment of long range forces on surfaces", author = "Tuckerman, ME and Minary, P and Pihakari, K and Martyna, GJ", year = "2002", journal = "J. Chem. Phys", pages = "5351", volume = "116", }