Christopher I. Bayly

Also affiliated with Open Source Science Project, Open Molecular Software Foundation

Biochemistry, Genetics and Molecular BiologyComputer ScienceMaterials SciencePhysics and Astronomy

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 21 papers. Top paper: “A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules”.

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Journal of the American Chemical Society(1995)10.1021/ja00124a002

N/A

1.4DataRank · unranked

13111 citations

Piotr Cieplak, Christopher I. Bayly, Ian R. Gould, Kenneth M. Merz, David M. Ferguson +5 more

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

The Journal of Physical Chemistry(1993)10.1021/j100142a004

N/A

1.3DataRank · unranked

8019 citations

Piotr Cieplak, Peter A. Kollman, Wendy D. Cornell, Christopher I. Bayly

Benchmark assessment of molecular geometries and energies from small molecule force fields

F1000Research(2020)10.12688/f1000research.27141.1

N/A

0.598DataRank · unranked

53 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v3

N/A

0.442DataRank · unranked

18 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2022)10.26434/chemrxiv-2022-n2z1c

N/A

0.345DataRank · unranked

9 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v4

N/A

0.292DataRank · unranked

6 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

ChemRxiv(2020)10.26434/chemrxiv.12551867.v2

N/A

0.292DataRank · unranked

6 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2023)10.26434/chemrxiv-2022-n2z1c-v2

N/A

0DataRank · unranked

21 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

A fast, convenient, polarizable electrostatic model for molecular dynamics

ChemRxiv(2023)10.26434/chemrxiv-2023-cgrrj

N/A

0DataRank · unranked

0 citations

Michael Schauperl, David L. Mobley, Christopher I. Bayly, Michael K. Gilson, Liangyue Wang

A fast, convenient, polarizable electrostatic model for molecular dynamics

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

N/A

0DataRank · unranked

0 citations

Michael Schauperl, David L. Mobley, Christopher I. Bayly, Michael K. Gilson, Liangyue Wang

A fast, convenient, polarizable electrostatic model for molecular dynamics

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

N/A

0DataRank · unranked

0 citations

Michael Schauperl, David L. Mobley, Christopher I. Bayly, Michael K. Gilson, Liangyue Wang

Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c01145

N/A

0DataRank · unranked

3 citations

Pascal T. Merz, Ge Yunhui, Christopher I. Bayly, David L. Mobley, Swapnil Wagle

A fast, convenient, polarizable electrostatic model for molecular dynamics

ChemRxiv(2024)10.26434/chemrxiv-2023-cgrrj-v4

N/A

0DataRank · unranked

0 citations

Michael Schauperl, David L. Mobley, Christopher I. Bayly, Michael K. Gilson, Liangyue Wang

Advancing Binding Affinity Calculations: A Non-Equilibrium Simulations Approach for Calculation of Relative Binding Free Energies in Systems with Trapped Waters

ChemRxiv(2025)10.26434/chemrxiv-2025-xtjl3

N/A

0DataRank · unranked

0 citations

Christopher I. Bayly, David L. Mobley, Swapnil Wagle

Advancing Binding Affinity Calculations: A Non-Equilibrium Simulations Approach for Calculation of Relative Binding Free Energies in Systems with Trapped Waters

ChemRxiv(2025)10.26434/chemrxiv-2025-xtjl3-v2

N/A

0DataRank · unranked

0 citations

Christopher I. Bayly, David L. Mobley, Swapnil Wagle

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2020)10.26434/chemrxiv.13082561.v2

N/A

0DataRank · unranked

31 citations

Daniel G. A. Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Capturing non-local through-bond effects in molecular mechanics force fields I: Fragmenting molecules for quantum chemical torsion scans [Article v1.1]

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.08.27.270934

N/A

0DataRank · unranked

15 citations

Christopher I. Bayly, Daniel G. A. Smith, Josh Fass, Lee‐Ping Wang, David L. Mobley +2 more

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

ChemRxiv(2020)10.26434/chemrxiv.12551867

N/A

0DataRank · unranked

1 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v4

N/A

0DataRank · unranked

1 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v3

N/A

0DataRank · unranked

0 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00039

N/A

0DataRank · unranked

193 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more