Tajkhorshid, Emad

Scalable molecular dynamics with NAMD

Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kalé, L., & Schulten, K. (2005) · Journal of Computational Chemistry

Protein Structure and DynamicsParallel Computing and Optimization Techniques

Cited by 16,914

Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation

Muller, M. P., Jiang, T., Sun, C., Lihan, M., Pant, S., Mahinthichaichan, P., Trifan, A., & Tajkhorshid, E. (2019) · Chemical Reviews

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 282

Structural basis for iron piracy by pathogenic Neisseria

Noinaj, N., Easley, N. C., Oke, M., Mizuno, N., Gumbart, J., Boura, E., Steere, A. N., Zak, O., Aisen, P., Tajkhorshid, E., et al. (2012) · Nature

Bacterial Infections and VaccinesBacterial Genetics and Biotechnology

Cited by 262

Direct protein-lipid interactions shape the conformational landscape of secondary transporters

Martens, C., Shekhar, M., Borysik, A. J., Lau, A. M., Reading, E., Tajkhorshid, E., Booth, P. J., & Politis, A. (2018) · Nature Communications

Protein Structure and DynamicsDrug Transport and Resistance Mechanisms

Cited by 134

Toward Theoretical Analyis of Long-Range Proton Transfer Kinetics in Biomolecular Pumps

König, P. H., Ghosh, N., Hoffmann, M., Elstner, M., Tajkhorshid, E., Frauenheim, T., & Cui, Q. (2006) · The Journal of Physical Chemistry A

Advanced Chemical Physics StudiesProtein Structure and Dynamics

Cited by 114

A “cross-stitched” peptide with improved helicity and proteolytic stability

Speltz, T. E., Mayne, C. G., Fanning, S. W., Siddiqui, Z., Tajkhorshid, E., Greene, G. L., & Moore, T. W. (2018) · Organic & Biomolecular Chemistry

Chemical Synthesis and AnalysisProtein Structure and Dynamics

Cited by 39

Cryo‐EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms

Le, L. T. M., Thompson, J. R., Dehghani‐Ghahnaviyeh, S., Pant, S., Dang, P. X., French, J. B., Kanikeyo, T., Tajkhorshid, E., & Alam, A. (2023) · The EMBO Journal

Drug Transport and Resistance MechanismsLipid Membrane Structure and Behavior

Cited by 31

‘Assembly and analysis of cell-scale membrane envelopes’

Vermaas, J. V., Mayne, C. G., Shinn, E., & Tajkhorshid, E. (2022) · Journal of Chemical Information and Modeling

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 30

Proton-driven alternating access in a spinster transporter, an emerging family of broad-specificity efflux pumps

Dastvan, R., Rasouli, A., Dehghani-Ghahnaviyeh, S., Gies, S., & Tajkhorshid, E. (2022) · Nature Communications

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 30

A Rigorous Framework for Calculating Protein–Protein Binding Affinities in Membranes

Blazhynska, M., Gumbart, J. C., Chen, H., Tajkhorshid, E., Roux, B., & Chipot, C. (2023) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsLipid Membrane Structure and Behavior

Cited by 22

Molecular mechanisms of catalytic inhibition for active site mutations in glucose-6-phosphatase catalytic subunit 1 linked to glycogen storage disease

Sinclair, M., Stein, R. A., Sheehan, J. H., Hawes, E. M., O’Brien, R. M., Tajkhorshid, E., & Claxton, D. P. (2023) · PNAS Nexus

Glycogen Storage Diseases and MyoclonusProtein Structure and Dynamics

Cited by 8

Integrative analysis of pathogenic variants in glucose-6-phosphatase based on an AlphaFold2 model

Sinclair, M., Stein, R. A., Sheehan, J. H., Hawes, E. M., O’Brien, R. M., Tajkhorshid, E., & Claxton, D. P. (2024) · PNAS Nexus

Glycogen Storage Diseases and MyoclonusProtein Structure and Dynamics

Cited by 8

Voltage Sensor Conformations Induced by LQTS-associated Mutations in hERG Potassium Channels

Chan, A. N., Quach, C. D., Handlin, L. J., Lessie, E. N., Tajkhorshid, E., & Dai, G. (2024) · Nature Communications

Ion channel regulation and functionCardiac electrophysiology and arrhythmias

Cited by 5