Center on Macromolecular Dynamics by NMR Spectroscopy

The Center on Macromolecular Dynamics by NMR Spectroscopy (CoMD/NMR) is a Biomedical Technology Development and Dissemination (BTDD) Center supported by U.S. National Institutes of Health grant 1RM1 GM145397 and located at the New York Structural Biology Center (NYSBC). The mission of CoMD/NMR is to develop methods for studying how the conformations and dynamics of proteins, nucleic acids mediate their biological functions, when bound to drugs or toxins, or when diseases occur. CoMD/NMR uses NMR spectrometers, machines very similar to MRI machines used by physicians to provide pictures of the human body. NYSBC has nine NMR spectrometers of different sizes and is one of the largest such centers in the world. Scientists at CoMD/NMR research and implement new methods for performing such studies and assist scientists from around the U.S. in using NMR spectroscopy in their own research. Technology developed at CoMD/NMR has been used to study amyloid diseases, behavior of protein ion channels in the nervous system, formation of distinct tissues during development of the mammalian body, function and regulation of proteins involved in metabolism, and other biological processes.

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News and Events

CoMD/NMR History

CoMD/NMR is founded as a BTRR Center on June 1, 2017.
CoMD/NMR continues as a BTDD Center on July 1, 2022.


NMR Spectroscopy of Macromolecules taught at NYSBC, Spring 2024.


Ring Dynamics software V1.19 released 02/02/2024


Visit CoMD/NMR at ENC (Willow Living Room, First Floor)

Recent Publications

LC-Photo-CIDNP hyperpolarization of biomolecules bearing a quasi-isolated spin pair: Magnetic-Field dependence via a rapid-shuttling device.
Li S, Bhattacharya S, Chou CY, Chu M, Chou SC, Tonelli M, Goger M, Yang H, Palmer AG, Cavagnero S Journal of magnetic resonance (San Diego, Calif. : 1997) 359 107616 2024 Feb

Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics.
Yi X, Zhang L, Friesner RA, McDermott A The journal of physical chemistry letters 15 2270-2278 2024 Feb 29

Contribution of protein conformational heterogeneity to NMR lineshapes at cryogenic temperatures.
Yi X, Fritzsching KJ, Rogawski R, Xu Y, McDermott AE Proceedings of the National Academy of Sciences of the United States of America 121 e2301053120 2024 Feb 20

Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Patskovsky Y, Natarajan A, Patskovska L, Nyovanie S, Joshi B, Morin B, Brittsan C, Huber O, Gordon S, Michelet X, Schmitzberger F, Stein RB, Findeis MA, Hurwitz A, Van Dijk M, Chantzoura E, Yague AS, Pollack Smith D, Buell JS, Underwood D, Krogsgaard M Nature communications 14 3763 2023 Jun 23

Structure and DNA-bridging activity of the essential Rec114-Mei4 trimer interface.
Liu K, Grasso EM, Pu S, Zou M, Liu S, Eliezer D, Keeney S Genes & development 37 518-534 2023 Jun 1

Dynamical Models of Chemical Exchange in Nuclear Magnetic Resonance Spectroscopy.
Daffern N, Nordyke C, Zhang M, Palmer AG 3rd, Straub JE Biophysicist (Rockville, Md.) 3 13-34 2022 Jul

Dynamic regulation of Zn(II) sequestration by calgranulin C.
Wang Q, Kuci D, Bhattacharya S, Hadden-Perilla JA, Gupta R Protein science : a publication of the Protein Society 31 e4403 2022 Sep

Comparisons of Ribonuclease HI Homologs and Mutants Uncover a Multistate Model for Substrate Recognition.
Martin JA, Palmer AG 3rd Journal of the American Chemical Society 144 5342-5349 2022 Mar 30

Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Bhattacharya S, Palillo A Protein science : a publication of the Protein Society 31 498-512 2022 Feb

All CoMD/NMR publications at PubMed