Jean‐Philip Piquemal

Centre National de la Recherche Scientifique

Also affiliated with Sorbonne Université, Advanced Pharma, Laboratoire de Chimie Théorique, Laboratoire Médiations, Qubit Pharmaceuticals

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyMaterials ScienceChemistry

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 20 papers. Top paper: “High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling”.

High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

Chemical Science(2021)10.1039/d1sc00145k

N/A

0.606DataRank · unranked

56 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu +7 more

Incorporating Neural Networks into the AMOEBA Polarizable Force Field

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.3c08166

N/A

0.373DataRank · unranked

11 citations

Théo Jaffrelot Inizan, Chengwen Liu, Jean‐Philip Piquemal, Pengyu Ren, Yanxing Wang

Improvement of the Gaussian Electrostatic Model by Separate Fitting of Coulomb and Exchange-Repulsion Densities and Implementation of a new Dispersion term

(2021)10.33774/chemrxiv-2021-4d07d

N/A

0.208DataRank · unranked

3 citations

Jean‐Philip Piquemal, G. Andrés Cisneros, Sehr Naseem‐Khan

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166.v5

N/A

0.208DataRank · unranked

3 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu +7 more

Incorporating Neural Networks into the AMOEBA Polarizable Force Field

ChemRxiv(2023)10.26434/chemrxiv-2023-kgfpg-v2

N/A

0.165DataRank · unranked

2 citations

Théo Jaffrelot Inizan, Chengwen Liu, Jean‐Philip Piquemal, Pengyu Ren, Yanxing Wang

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166.v3

N/A

0.165DataRank · unranked

2 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henry Jolly, Chengwen Liu +7 more

Improvement of the Gaussian Electrostatic Model by separate fitting of Coulomb and exchange-repulsion densities and implementation of a new dispersion term

The Journal of Chemical Physics(2021)10.1063/5.0072380

N/A

0DataRank · unranked

9 citations

Jean‐Philip Piquemal, G. Andrés Cisneros, Sehr Naseem‐Khan

Improvement of the Gaussian Electrostatic Model by Separate Fitting of Coulomb and Exchange-Repulsion Densities and Implementation of a new Dispersion term

ChemRxiv(2021)10.26434/chemrxiv-2021-4d07d

N/A

0DataRank · unranked

2 citations

Jean‐Philip Piquemal, G. Andrés Cisneros, Sehr Naseem‐Khan

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2021)10.26434/chemrxiv.13003166.v6

N/A

0DataRank · unranked

1 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu +7 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

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

Incorporating Neural Networks into the AMOEBA Polarizable Force Field

ChemRxiv(2023)10.26434/chemrxiv-2023-kgfpg

N/A

0DataRank · unranked

2 citations

Théo Jaffrelot Inizan, Chengwen Liu, Jean‐Philip Piquemal, Pengyu Ren, Yanxing Wang

Incorporating Neural Networks into the AMOEBA Polarizable Force Field

ChemRxiv(2023)10.26434/chemrxiv-2023-kgfpg-v3

N/A

0DataRank · unranked

0 citations

Théo Jaffrelot Inizan, Chengwen Liu, Jean‐Philip Piquemal, Pengyu Ren, Yanxing Wang

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166

N/A

0DataRank · unranked

8 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu +7 more

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment

The Journal of Chemical Physics(2024)10.1063/5.0214652

N/A

0DataRank · unranked

1 citations

Aaron J. Nessler, Andrew Thiel, Hernan V. Bernabe, Rae Corrigan, Leah M. Cousineau +16 more

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166.v4

N/A

0DataRank · unranked

2 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu +7 more

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166.v2

N/A

0DataRank · unranked

0 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henry Jolly, Chengwen Liu +7 more

Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) using Extensive Polarizable Force Field Free-Energy Simulations

ChemRxiv(2020)10.26434/chemrxiv.11336975.v2

N/A

0DataRank · unranked

0 citations

Frédéric Célerse, Louis Lagardère, Luc-Henri Jolly, Étienne Derat, Zeina Hobaika +6 more

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

ChemRxiv(2020)10.26434/chemrxiv.13003166.v1

N/A

0DataRank · unranked

0 citations

Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henry Jolly, Chengwen Liu +7 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