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Chemistry

D-Index
70
Citations
39698
World Ranking
5726
National Ranking
1760

Overview

Christophe Chipot is affiliated with the University of Illinois at Urbana-Champaign in the United States. The majority of their work is situated within the domain of Biochemistry, Genetics, and Molecular Biology.

Their research has a considerable focus on Molecular Biology, accompanied by contributions to Atomic and Molecular Physics, and Optics, Materials Chemistry, Cellular and Molecular Neuroscience, and Biomedical Engineering.

Main topics explored in their scientific work include:

  • Protein Structure and Dynamics
  • Spectroscopy and Quantum Chemical Studies
  • Lipid Membrane Structure and Behavior
  • Enzyme Structure and Function
  • Computational Drug Discovery Methods
  • RNA and protein synthesis mechanisms
  • Nanopore and Nanochannel Transport Studies

Frequent co-authors collaborating with Christophe Chipot include Benoît Roux, Wensheng Cai, Haohao Fu, Haochuan Chen, and Xueguang Shao.

They have published extensively in several scientific journals. The venues where Christophe Chipot has contributed the most include:

  • The Journal of Physical Chemistry B
  • Biophysical Journal
  • Journal of Chemical Information and Modeling
  • Journal of Chemical Theory and Computation
  • Nature Communications

The following is a selection of recent papers authored or co-authored by Christophe Chipot, detailing the title, year of publication, and the publication venue:

  • Scalable molecular dynamics on CPU and GPU architectures with NAMD, 2020, The Journal of Chemical Physics
  • Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations, 2022, Nature Protocols
  • Cation-π Interactions and their Functional Roles in Membrane Proteins, 2021, Journal of Molecular Biology
  • Annexin-V stabilizes membrane defects by inducing lipid phase transition, 2020, Nature Communications
  • Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape, 2020, Journal of Chemical Information and Modeling

Best Publications

  • Scalable molecular dynamics with NAMD

    James C. Phillips;Rosemary Braun;Wei Wang;James C. Gumbart

  • Scalable molecular dynamics on CPU and GPU architectures with NAMD.

    James C. Phillips;David J. Hardy;Julio D.C. Maia;John E. Stone

  • Free Energy Calculations

    Christophe Chipot;Andrew Pohorille

  • Good Practices in Free-Energy Calculations

    Andrew Pohorille;Christopher Jarzynski;Christopher Chipot

  • Overcoming free energy barriers using unconstrained molecular dynamics simulations

    Jérôme Hénin;Christophe Chipot

  • The adaptive biasing force method: everything you always wanted to know but were afraid to ask.

    Jeffrey Comer;James C. Gumbart;Jérôme Hénin;Tony Lelièvre

  • Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

    Jérome Hénin;Giacomo Fiorin;Christophe Chipot;Michael L. Klein

  • Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous Solution

    Christophe Chipot;Richard Jaffe;Bernard Maigret;and David A. Pearlman

  • Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

    James C. Gumbart;Benoît Roux;Benoît Roux;Christophe Chipot;Christophe Chipot

  • Free energy calculations : theory and applications in chemistry and biology

    Christophe Chipot;Andrew Pohorille

  • The development/application of a ‘minimalist’ organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data

    Peter Kollman;Richard Dixon;Wendy Cornell;Thomas Fox

  • Cation−π Interactions in Proteins: Can Simple Models Provide an Accurate Description?

    Hervé Minoux;Christophe Chipot

  • Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.

    Christopher T. Lee;Jeffrey Comer;Conner Herndon;Nelson Leung

  • Efficient determination of protein-protein standard binding free energies from first principles.

    James C. Gumbart;Benoît Roux;Christophe Chipot;Christophe Chipot

  • A Toolkit for the Analysis of Free-Energy Perturbation Calculations

    Peng Liu;François Dehez;Wensheng Cai;Christophe Chipot;Christophe Chipot

  • Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

    Abhishek Singharoy;Christopher Maffeo;Karelia H. Delgado-Magnero;David J.K. Swainsbury

  • Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.

    Brian K. Radak;Christophe Chipot;Donghyuk Suh;Sunhwan Jo

  • Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations

    Unknown

  • Frontiers in free-energy calculations of biological systems

    Christophe Chipot;Christophe Chipot

  • Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies

    Christophe Chipot;François Dehez;Jason R Schnell;Nicole Zitzmann

  • NMR Structure and Ion Channel Activity of the p7 Protein from Hepatitis C Virus

    Roland Montserret;Nathalie Saint;Christophe Vanbelle;Andrés Gerardo Salvay

  • Insights into the recognition and association of transmembrane α-helices. The free energy of α-helix dimerization in glycophorin A

    Jérôme Hénin;and Andrew Pohorille;Christophe Chipot

Frequent Co-Authors

Wensheng Cai
Wensheng Cai Nankai University
Klaus Schulten
Klaus Schulten University of Illinois at Urbana-Champaign
János G. Ángyán
János G. Ángyán University of Lorraine
Andrew Pohorille
Andrew Pohorille Ames Research Center
Benoît Roux
Benoît Roux University of Chicago
Emad Tajkhorshid
Emad Tajkhorshid University of Illinois at Urbana-Champaign
Paul Schanda
Paul Schanda Institute of Science and Technology Austria
Mounir Tarek
Mounir Tarek University of Lorraine
F. Javier Luque
F. Javier Luque University of Barcelona
Claude Millot
Claude Millot Centre national de la recherche scientifique, CNRS

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