Shubin Liu

University of North Carolina at Chapel Hill

Also affiliated with University of North Carolina System, Astellas Pharma (United States)

Physics and AstronomyComputer ScienceChemistryMaterials 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 27 papers. Top paper: “Electrophilicity Index”.

Electrophilicity Index

Journal of the American Chemical Society(1999)10.1021/ja983494x

N/A

1.3DataRank · unranked

7200 citations

László v. Szentpály, Shubin Liu, László von Szentpály, Robert G. Parr

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation

Journal of Medicinal Chemistry(2020)10.1021/acs.jmedchem.0c01174

N/A

0DataRank · unranked

30 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 more

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

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

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

ChemRxiv(2020)10.26434/chemrxiv.12616178

N/A

0DataRank · unranked

2 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 more

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

ChemRxiv(2020)10.26434/chemrxiv.12616178.v1

N/A

0DataRank · unranked

1 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 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

Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening

Figshare(2020)10.17615/y79v-wy82

N/A

0DataRank · unranked

0 citations

Xiang S. Wang, Shubin Liu, Alexander Tropsha, Shuangye Yin, Nikolay V. Dokholyan +1 more

Multiscale approaches for studying energy transduction in dynein

UNC Libraries(2020)10.17615/dd2t-fq52

N/A

0DataRank · unranked

0 citations

Nikolay V. Dokholyan, Timothy C. Elston, Denis Tsygankov, Shubin Liu, Adrian W.R. Serohijos

Stereodivergent Nucleophilic Additions to Racemic β-Oxo Acid Derivatives: Fast Addition Outcompetes Stereoconvergence in the Archetypal Configurationally Unstable Electrophile

Journal of the American Chemical Society(2021)10.1021/jacs.1c07702

N/A

0DataRank · unranked

16 citations

Evan T. Crawford, Shubin Liu, Jeffrey S. Johnson, Pedro De Jesús Cruz

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

UNC Libraries(2021)10.17615/ca2y-rw28

N/A

0DataRank · unranked

2 citations

Hao Hu, Lee G. Pedersen, Shubin Liu

Expansion of the density-functional energy components E c and T c in terms of moments of the electron density

UNC Libraries(2021)10.17615/azg8-qe22

N/A

0DataRank · unranked

1 citations

Shubin Liu, Á. Nagy, Robert G. Parr

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Physical Chemistry Chemical Physics(2022)10.1039/d2cp02827a

N/A

0DataRank · unranked

273 citations

Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov +65 more

Mechanistic Investigations into Amination of Unactivated Arenes via Cation Radical Accelerated Nucleophilic Aromatic Substitution

Journal of the American Chemical Society(2022)10.1021/jacs.2c04577

N/A

0DataRank · unranked

61 citations

Shubin Liu, David A. Nicewicz, Vincent A. Pistritto

Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore

European Journal of Medicinal Chemistry(2022)10.1016/j.ejmech.2022.115043

N/A

0DataRank · unranked

17 citations

Anna Truong, Frank E. Kwarcinski, Chandi de Silva, Krisha Avalani, Tammy M. Havener +10 more

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

ChemRxiv(2022)10.26434/chemrxiv-2022-13j2v

N/A

0DataRank · unranked

26 citations

Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov +65 more

Discovery of Potent Plasmodium falciparum Protein Kinase 6 (PfPK6) Inhibitors with a Type II Inhibitor Pharmacophore

ChemRxiv(2022)10.26434/chemrxiv-2022-6v14d

N/A

0DataRank · unranked

1 citations

Anna Truong, Frank E. Kwarcinski, Chandi de Silva, Krisha Avalani, Tammy M. Havener +10 more

Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00762

N/A

0DataRank · unranked

9 citations

Jean‐Philip Piquemal, Shubin Liu, G. Andrés Cisneros, Jorge Nochebuena

Structural Determinants of the Binding and Activation of Estrogen Receptor α by Phenolic Thieno[2,3‐ d ]pyrimidines

Helvetica Chimica Acta(2023)10.1002/hlca.202300097

N/A

0DataRank · unranked

3 citations

Brian Anderson, John D. Norris, Chad Torrice, Carstyn Joiner, Shubin Liu +6 more

Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields

ChemRxiv(2023)10.26434/chemrxiv-2023-cjjs6

N/A

0DataRank · unranked

2 citations

Jean‐Philip Piquemal, Shubin Liu, G. Andrés Cisneros, Jorge Nochebuena

Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines

ChemRxiv(2023)10.26434/chemrxiv-2023-wrzhc

N/A

0DataRank · unranked

1 citations

Brian Anderson, John D. Norris, Chad Torrice, Carstyn Joiner, Shubin Liu +6 more

Relative Cooperativity in Neutral and Charged Molecular Clusters Using QM/MM Calculations

ChemRxiv(2023)10.26434/chemrxiv-2023-k2wpt

N/A

0DataRank · unranked

1 citations

Shubin Liu, G. Andrés Cisneros, Jorge Nochebuena

Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations

The Journal of Chemical Physics(2024)10.1063/5.0203020

N/A

0DataRank · unranked

0 citations

Shubin Liu, G. Andrés Cisneros, Jorge Nochebuena

Enantioselective Chemical Probe for Chikungunya nsP2 Helicase with Antialphaviral Activity

ACS Infectious Diseases(2025)10.1021/acsinfecdis.5c00351

N/A

0DataRank · unranked

5 citations

Hans J. Oh, John D. Sears, Chun‐Hsing Chen, Anand Vala, Shubin Liu +20 more

An Enantioselective Chemical Probe for Chikungunya nsP2 Helicase with Antialphaviral Activity

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.04.24.650479

N/A

0DataRank · unranked

1 citations

Hans J. Oh, John D. Sears, Chun‐Hsing Chen, Anand Vala, Shubin Liu +20 more

Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations

UNC Libraries(2025)10.17615/x2kv-6d56

N/A

0DataRank · unranked

0 citations

Shubin Liu, Jorge Nochebuena, G. Andrés Cisneros