Patrice Koehl

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 20

Top Topics

Molecular Dynamics

Structure Activity Relationship

Top Venues

Journal of chemical information and modeling

BMC bioinformatics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Yin-Chen Hsieh, Marc Delarue, Henri Orland, Patrice Koehl
Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories. Viruses 15 (6) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling 63 (3) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling (2023)
Yin-Chen Hsieh, Marc Delarue, Henri Orland, Patrice Koehl
Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories. Viruses 15 (6) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling 63 (3) (2023)
Yin-Chen Hsieh, Marc Delarue, Henri Orland, Patrice Koehl
Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories. Viruses 15 (6) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling 63 (3) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling 63 (3) (2023)
Yin-Chen Hsieh, Marc Delarue, Henri Orland, Patrice Koehl
Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories. Viruses 15 (6) (2023)
Patrice Koehl, Arseniy Akopyan, Herbert Edelsbrunner
Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of chemical information and modeling (2023)
Patrice Koehl, Marc Delarue, Henri Orland
Simultaneous Identification of Multiple Binding Sites in Proteins: A Statistical Mechanics Approach. The journal of physical chemistry. B 125 (19) (2021)
Patrice Koehl, Henri Orland, Marc Delarue
Parameterizing elastic network models to capture the dynamics of proteins. Journal of computational chemistry 42 (23) (2021)
Jiahui Guan, Fushing Hsieh, Patrice Koehl
DCG++: A data-driven metric for geometric pattern recognition. PloS one 14 (6) (2019)
Patrice Koehl
Minimum action principle and shape dynamics. Journal of the Royal Society, Interface 14 (130) (2018)
Patrice Koehl
Large Eigenvalue Problems in Coarse-Grained Dynamic Analyses of Supramolecular Systems. Journal of chemical theory and computation 14 (7) (2018)
Marc Delarue, Patrice Koehl, Henri Orland
Ab initio sampling of transition paths by conditioned Langevin dynamics. The Journal of chemical physics 147 (15) (2018)
Marc Delarue, Patrice Koehl
Combined approaches from physics, statistics, and computer science for ab initio protein structure prediction: ex unitate vires (unity is strength)? F1000Research 7 (2018)
Saghi Nojoomi, Patrice Koehl
A weighted string kernel for protein fold recognition. BMC bioinformatics 18 (1) (2017)
Saghi Nojoomi, Patrice Koehl
String kernels for protein sequence comparisons: improved fold recognition. BMC bioinformatics 18 (1) (2017)
Patrice Koehl, Frédéric Poitevin, Rafael Navaza, Marc Delarue
The Renormalization Group and Its Applications to Generating Coarse-Grained Models of Large Biological Molecular Systems. Journal of chemical theory and computation 13 (3) (2017)