List of works - Mahmoud Moradi

A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls

scientific article published on 09 February 2022

A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane

A Statistical Analysis of the PPII Propensity of Amino Acid Guests in Proline-Rich Peptides ⬇️

scientific article published on February 16, 2011

A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers

scientific article published on September 2010

An Effective Electric Dipole Model for Voltage-induced Gating Mechanism of Lysenin

scientific article published on 07 August 2019

Are long-range structural correlations behind the aggregration phenomena of polyglutamine diseases?

scientific article

Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter

scientific article

Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin

scientific article published on August 2013

Chemomechanical Coupling in Hexameric Protein-Protein Interfaces Harnesses Energy within V-Type ATPases

scientific article

Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems

scientific article

Computational characterization of structural dynamics underlying function in active membrane transporters

scientific article published on 27 April 2015

Conformational dynamics at the inner gate of KcsA during activation

scientific article

Conformations and free energy landscapes of polyproline peptides

scientific article

Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations

scientific article published on 17 May 2013

Effective Riemannian Diffusion Model for Conformational Dynamics of Biomolecular Systems

scientific article published on 23 November 2016

Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation

article

Investigating rare events with nonequilibrium work measurements. I. Nonequilibrium transition path probabilities

scientific article published in January 2014

Investigating rare events with nonequilibrium work measurements. II. Transition and reaction rates

scientific article published in January 2014

Mechanistic picture for conformational transition of a membrane transporter at atomic resolution

scientific article

PPII propensity of multiple-guest amino acids in a proline-rich environment

scientific article published on 14 June 2011

Recipes for free energy calculations in biomolecular systems

scientific article published in January 2013

The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2

scientific article published on 08 October 2019

What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?

scientific article

List of works by Mahmoud Moradi

A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls

A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane

A Statistical Analysis of the PPII Propensity of Amino Acid Guests in Proline-Rich Peptides ⬇️

A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers

An Effective Electric Dipole Model for Voltage-induced Gating Mechanism of Lysenin

Are long-range structural correlations behind the aggregration phenomena of polyglutamine diseases?

Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter

Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin

Chemomechanical Coupling in Hexameric Protein-Protein Interfaces Harnesses Energy within V-Type ATPases

Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems

Computational characterization of structural dynamics underlying function in active membrane transporters

Conformational dynamics at the inner gate of KcsA during activation

Conformations and free energy landscapes of polyproline peptides

Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations

Effective Riemannian Diffusion Model for Conformational Dynamics of Biomolecular Systems

Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation

Investigating rare events with nonequilibrium work measurements. I. Nonequilibrium transition path probabilities

Investigating rare events with nonequilibrium work measurements. II. Transition and reaction rates

Mechanistic picture for conformational transition of a membrane transporter at atomic resolution

PPII propensity of multiple-guest amino acids in a proline-rich environment

Recipes for free energy calculations in biomolecular systems

The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2

What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?