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Biochemical Society Transactions
|
May 16, 2019
Investigating targets for neuropharmacological intervention by molecular dynamics simulations
Giulia Rossetti, Achim Kless, Luhua Lai, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2023
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Ke Zuo, Agata Kranjc, Riccardo Capelli, et al.
The Journal of Chemical Physics
|
November 4, 2025
Fine tuning of long-range interactions to describe the binding of adamantane and diamantane derivatives to a Cucurbit[7]uril-based synthetic receptor: Insights from metadynamics simulations
Amal Vijay, Giacomo Salvadori, Frank Biedermann, et al.
Journal of Chemical Information and Modeling
|
November 10, 2023
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail
Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, et al.
Molecules (Basel, Switzerland)
|
October 17, 2018
Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
Ruyin Cao, Alejandro Giorgetti, Andreas Bauer, et al.
Plos Computational Biology
|
February 4, 2017
Unifying view of mechanical and functional hotspots across class A GPCRs
Luca Ponzoni, Giulia Rossetti, Luca Maggi, et al.
Molecules (Basel, Switzerland)
|
April 3, 2021
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction
Giulia D'Arrigo, Eleonora Gianquinto, Giulia Rossetti, et al.
Journal of Chemical Theory and Computation
|
November 23, 2021
Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein-Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, et al.
Journal of Biomolecular Structure & Dynamics
|
September 1, 2012
Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras
Xiaojing Cong, Salvatore Bongarzone, Gabriele Giachin, et al.
Mass Spectrometry Reviews
|
May 9, 2015
Conformational effects in protein electrospray-ionization mass spectrometry
Jinyu Li, Carlo Santambrogio, Stefania Brocca, et al.
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Search research articles
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Showing results (31-40 of 126) with videos related to
Sort By:
Page
of 13
Biochemical Society Transactions
|
May 16, 2019
Investigating targets for neuropharmacological intervention by molecular dynamics simulations
Giulia Rossetti, Achim Kless, Luhua Lai, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2023
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Ke Zuo, Agata Kranjc, Riccardo Capelli, et al.
The Journal of Chemical Physics
|
November 4, 2025
Fine tuning of long-range interactions to describe the binding of adamantane and diamantane derivatives to a Cucurbit[7]uril-based synthetic receptor: Insights from metadynamics simulations
Amal Vijay, Giacomo Salvadori, Frank Biedermann, et al.
Journal of Chemical Information and Modeling
|
November 10, 2023
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail
Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, et al.
Molecules (Basel, Switzerland)
|
October 17, 2018
Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
Ruyin Cao, Alejandro Giorgetti, Andreas Bauer, et al.
Plos Computational Biology
|
February 4, 2017
Unifying view of mechanical and functional hotspots across class A GPCRs
Luca Ponzoni, Giulia Rossetti, Luca Maggi, et al.
Molecules (Basel, Switzerland)
|
April 3, 2021
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction
Giulia D'Arrigo, Eleonora Gianquinto, Giulia Rossetti, et al.
Journal of Chemical Theory and Computation
|
November 23, 2021
Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein-Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, et al.
Journal of Biomolecular Structure & Dynamics
|
September 1, 2012
Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras
Xiaojing Cong, Salvatore Bongarzone, Gabriele Giachin, et al.
Mass Spectrometry Reviews
|
May 9, 2015
Conformational effects in protein electrospray-ionization mass spectrometry
Jinyu Li, Carlo Santambrogio, Stefania Brocca, et al.
Page
of 13