Lee G. Pedersen

National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina 27709

MedicineBiochemistry, Genetics and Molecular BiologyPhysics and AstronomyMaterials Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 28 papers. Top paper: “Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems”.

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

The Journal of Chemical Physics(1993)10.1063/1.464397

N/A

1.5DataRank · unranked

30282 citations

Darrin York, Darrin M. York, Lee G. Pedersen, Tom Darden

A smooth particle mesh Ewald method

The Journal of Chemical Physics(1995)10.1063/1.470117

N/A

1.5DataRank · unranked

22638 citations

Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, Lee G. Pedersen +2 more

Steric, Quantum, and Electrostatic Effects on S N 2 Reaction Barriers in Gas Phase

UNC Libraries(2021)10.17615/ca2y-rw28

N/A

0.165DataRank · unranked

2 citations

Hao Hu, Lee G. Pedersen, Shubin Liu

Estimation of Molecular Acidity via Electrostatic Potential at the Nucleus and Valence Natural Atomic Orbitals

UNC Libraries(2020)10.17615/hzkf-8p23

N/A

0DataRank · unranked

3 citations

Lee G. Pedersen, Shubin Liu

Preferential DNA Polymerase β Reverse Reaction with Imidodiphosphate

ACS Omega(2020)10.1021/acsomega.0c01345

N/A

0DataRank · unranked

1 citations

William A. Beard, Lee G. Pedersen, David D. Shock, Samuel H. Wilson, L. Perera

Conformational change path between closed and open forms of C2 domain of coagulation factor V on a two-dimensional free-energy surface

UNC Libraries(2020)10.17615/eswg-vw50

N/A

0DataRank · unranked

2 citations

Chang Jun Lee, Sangwook Wu, Lee G. Pedersen

An Atomic Model for the Pleated β-Sheet Structure of Aβ Amyloid Protofilaments

UNC Libraries(2020)10.17615/xatc-vq92

N/A

0DataRank · unranked

1 citations

Thomas A. Darden, Dorothea Kominos, Lee G. Pedersen, L. Bartolotti, Leping Li

Amino Acid Substitution in the Active Site of DNA Polymerase β Explains the Energy Barrier of the Nucleotidyl Transfer Reaction

UNC Libraries(2020)10.17615/94rm-rk43

N/A

0DataRank · unranked

0 citations

V.K. Batra, William A. Beard, Samuel H. Wilson, Ping Lin, Lars C. Pedersen +3 more

Requirement for transient metal ions revealed through computational analysis for DNA polymerase going in reverse

UNC Libraries(2020)10.17615/jnwd-0w23

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, David D. Shock, Bret Freudenthal, Samuel H. Wilson, L. Perera +1 more

HPAM: Hirshfeld partitioned atomic multipoles

UNC Libraries(2020)10.17615/dtgp-g516

N/A

0DataRank · unranked

0 citations

Dennis M. Elking, Lee G. Pedersen, L. Perera

Explicit Water Near the Catalytic I Helix Thr in the Predicted Solution Structure of CYP2A4

UNC Libraries(2020)10.17615/x4x7-bt80

N/A

0DataRank · unranked

0 citations

Tom Darden, L. Perera, Lee G. Pedersen, Anna Gorokhov, Eric F. Johnson +2 more

Weak Antiferromagnetic Coupling via a Superexchange Interaction between Mn(II)–Mn(II) Ions: A QM/MM Study of the Active Site of Human Cytosolic X-Propyl Aminopeptidase P

UNC Libraries(2020)10.17615/kvfx-ge80

N/A

0DataRank · unranked

0 citations

Shubin Liu, Lee G. Pedersen, Sooyeon Sim, Sangwook Wu

Structural Comparison of DNA Polymerase Architecture Suggests a Nucleotide Gateway to the Polymerase Active Site

UNC Libraries(2020)10.17615/wdhp-b404

N/A

0DataRank · unranked

0 citations

Sangwook Wu, Samuel H. Wilson, William A. Beard, Lee G. Pedersen

Heparan Sulfate Biosynthesis: A Theoretical Study of the Initial Sulfation Step by N-Deacetylase/N-Sulfotransferase

UNC Libraries(2020)10.17615/rg60-9t15

N/A

0DataRank · unranked

0 citations

L. Perera, Lars C. Pedersen, Lee G. Pedersen, Anna Gorokhov, Masahiko Negishi +1 more

Gaussian Multipole Model (GMM)

Figshare(2020)10.17615/wfvs-gb06

N/A

0DataRank · unranked

0 citations

Thomas A. Darden, G. Andrés Cisneros, Lee G. Pedersen, Dennis M. Elking, Jean‐Philip Piquemal

Computational study of the putative active form of protein Z (PZa): Sequence design and structural modeling

UNC Libraries(2020)10.17615/hnfq-5j58

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, Chang Jun Lee, Robert E. Duke, L. Perera, V. Chandrasekaran

Modeling Zymogen Protein C

UNC Libraries(2020)10.17615/qcp3-r552

N/A

0DataRank · unranked

0 citations

C. K. Foley, Lee G. Pedersen, Charles T. Esmon, Thomas A. Darden, Timothy Mather +2 more

A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank

UNC Libraries(2020)10.17615/p20b-b363

N/A

0DataRank · unranked

0 citations

Thomas A. Darden, Lee G. Pedersen, Robert A. Duke, L. Perera, Dennis M. Elking

Structure and Dynamics of Zymogen Human Blood Coagulation Factor X

UNC Libraries(2020)10.17615/hrap-6436

N/A

0DataRank · unranked

0 citations

Divi Venkateswarlu, Lee G. Pedersen, L. Perera, Tom Darden

Hiding in Plain Sight: The Bimetallic Magnesium Covalent Bond in Enzyme Active Sites

Figshare(2020)10.17615/f582-bq51

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, L. Perera, Samuel H. Wilson, William A. Beard

Recent Estimates of the Structure of the Factor VIIa (FVIIa)/Tissue Factor (TF) and Factor Xa (FXa) Ternary Complex

Carolina Digital Repository (University of North Carolina at Chapel Hill)(2020)10.17615/sqvy-5026

N/A

0DataRank · unranked

0 citations

Robert E. Duke, Sangwook Wu, Lee G. Pedersen, V. Chandrasekaran, Chang Jun Lee

Catalytic mechanism of human DNA polymerase λ with Mg2+ and Mn2+ from ab initio quantum mechanical/molecular mechanical studies

UNC Libraries(2020)10.17615/fabw-yq04

N/A

0DataRank · unranked

0 citations

Miguel García–Díaz, Thomas A. Kunkel, L. Perera, Lee G. Pedersen, Katarzyna Bębenek +1 more

Analysis on long-range residue-residue communication using molecular dynamics: Analysis of Long-Range Residue-Residue Communication

UNC Libraries(2020)10.17615/a8ww-bh54

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, Chang Jun Lee, Sangwook Wu

Atomic forces for geometry-dependent point multipole and Gaussian multipole models

UNC Libraries(2020)10.17615/zqm2-f738

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, L. Perera, Dennis M. Elking, Robert A. Duke, Thomas A. Darden

New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations

UNC Libraries(2021)10.17615/xp7j-h168

N/A

0DataRank · unranked

0 citations

Lee G. Pedersen, Leping Li, L. Perera, Tom Darden

From Steroid and Drug Metabolism to Glycobiology, Using Sulfotransferase Structures to Understand and Tailor Function

Drug Metabolism and Disposition(2022)10.1124/dmd.121.000478

N/A

0DataRank · unranked

23 citations

MyeongJin Yi, Lee G. Pedersen, Andrea M. Kaminski, Lars C. Pedersen

Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angle

UNC Libraries(2020)10.17615/gdwn-1x21

N/A

0DataRank · unranked

4 citations

Shubin Liu, Lee G. Pedersen, Niranjan Govind

Molecular acidity: A quantitative conceptual density functional theory description

UNC Libraries(2020)10.17615/ctvf-y312

N/A

0DataRank · unranked

4 citations

Shubin Liu, Cynthia K. Schauer, Lee G. Pedersen