Emad Tajkhorshid

Molecular Biology · 2001–2020

A researcher in the Science corpus: 11 papers; trusts 3 researchers and is trusted by 4 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 153 citations into it; #8,735 of 17,773 by trust here, #1,804 by citations
• Atomic and Molecular Physics, and Optics — 63 citations into it; #5,803 of 7,135 by trust here, #4,643 by citations
• AI for Physical Sciences — 8 citations into it

Whom Emad Tajkhorshid trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Klaus Schulten
2. Christopher Jarzynski
3. Alexander D. MacKerell

Who trusts Emad Tajkhorshid overall

1. P. Agre
2. Felix Ritort
3. James C. Phillips
4. A. Verkman
5. Markus J. Buehler
6. Yigong Shi
7. Mildred Chaplin
8. Marcus Mueller

Papers from Emad Tajkhorshid's perspective

Ordered by how strongly the researchers Emad Tajkhorshid trusts endorse each paper. Same corpus, a different order for every researcher.

1. All-atom empirical potential for molecular modeling and dynamics studies of proteins.
2. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)
3. Canonical sampling through velocity rescaling. (Journal of Chemical Physics)
4. CHARMM‐GUI: A web‐based graphical user interface for CHARMM
5. A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS
6. Multidimensional replica-exchange method for free-energy calculations
7. A smooth particle mesh Ewald method
8. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
9. Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach
10. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes

Their papers

• Scalable molecular dynamics with NAMD (2005) — 16,410 citations
• Control of the Selectivity of the Aquaporin Water Channel Family by Global Orientational Tuning (2002) — 824 citations
• Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality (2003) — 726 citations
• Scalable molecular dynamics on CPU and GPU architectures with NAMD. (2020) — 2,675 citations
• Direct protein-lipid interactions shape the conformational landscape of secondary transporters (2018) — 129 citations
• Characterization of Lipid-Protein Interactions and Lipid-mediated Modulation of Membrane Protein Function Through Molecular Simulation (2019) — 229 citations
• Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport (2019) — 247 citations
• Structural mechanism of plant aquaporin gating (2006) — 850 citations
• Rapid parameterization of small molecules using the Force Field Toolkit (2013) — 479 citations
• Molecular Dynamics Study of Bacteriorhodopsin and the Purple Membrane (2001) — 83 citations
• Structural determinants of spectral tuning in retinal proteins - Bacteriorhodopsin vs sensory rhodopsin II (2001) — 108 citations