Search filters

List of works by Munir Skaf

A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions

scientific article

A linker of the proline-threonine repeating motif sequence is bimodal

scientific article published on 19 June 2020

A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.

scientific article published on 27 June 2018

A simulation study of the optical Kerr effect in liquid water

scientific article published on 01 March 2005

Adsorption of CO2 and CH4 in MIL-47 investigated by the 3D-RISM molecular theory of solvation

scientific article published on 05 June 2020

An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position

scientific article

Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange.

scientific article

Anomalous dynamics of hydration water in carbohydrate solutions

scientific article published in October 2009

Aspergillus niger β-glucosidase has a cellulase-like tadpole molecular shape: insights into glycoside hydrolase family 3 (GH3) β-glucosidase structure and function

scientific article published on 24 September 2013

CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands

scientific article (publication date: 22 December 2016)

Carbohydrate clustering in aqueous solutions and the dynamics of confined water

scientific article published on 22 September 2007

Catalytic Mechanism of Aryl-Ether Bond Cleavage in Lignin by LigF and LigG

scientific article published on 19 November 2019

Cellulose-builder: a toolkit for building crystalline structures of cellulose.

scientific article

Concerted motions and large-scale structural fluctuations of Trichoderma reesei Cel7A cellobiohydrolase

scientific article published on 28 February 2018

Effects of Xylan Side-Chain Substitutions on Xylan-Cellulose Interactions and Implications for Thermal Pretreatment of Cellulosic Biomass

scientific article published on 2 March 2017

Enzyme microheterogeneous hydration and stabilization in supercritical carbon dioxide

scientific article published on 4 May 2012

Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose

scientific article

GQ-16, a Novel Peroxisome Proliferator-activated Receptor   (PPAR ) Ligand, Promotes Insulin Sensitization without Weight Gain

scientific article

Gaining ligand selectivity in thyroid hormone receptors via entropy

scientific article

Hb S-São Paulo: a new sickling hemoglobin with stable polymers and decreased oxygen affinity

scientific article

Helix 12 dynamics and thyroid hormone receptor activity: experimental and molecular dynamics studies of Ile280 mutants

scientific article published on 21 April 2011

High performance collision cross section calculation-HPCCS

scientific article published on 02 March 2018

Identification of a new hormone-binding site on the surface of thyroid hormone receptor

scientific article

Interactions of chlorpromazine with phospholipid monolayers: effects of the ionization state of the drug

scientific article published on 10 November 2006

Joint X-ray crystallographic and molecular dynamics study of cellobiohydrolase I from Trichoderma harzianum: deciphering the structural features of cellobiohydrolase catalytic activity

scientific article

Mechanisms of the rotational dynamics of C70 in C70-cubane heteromolecular crystals

scientific article published on 01 December 2011

Medium Chain Fatty Acids Are Selective Peroxisome Proliferator Activated Receptor (PPAR) γ Activators and Pan-PPAR Partial Agonists ⬇️

scientific article published on May 23, 2012

Mode of peroxisome proliferator-activated receptor γ activation by luteolin

scientific article

Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition.

scientific article published on 12 December 2014

Molecular Recognition of PPARγ by Kinase Cdk5/p25: Insights from a Combination of Protein-Protein Docking and Adaptive Biasing Force Simulations.

scientific article published on 19 June 2015

Molecular basis of the thermostability and thermophilicity of laminarinases: X-ray structure of the hyperthermostable laminarinase from Rhodothermus marinus and molecular dynamics simulations

scientific article

Molecular dynamics simulations of AOT-water/formamide reverse micelles: structural and dynamical properties

scientific article published in December 2008

Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: evidence of the likeliest escape pathway and its implications for the design of novel ligands

scientific article published in January 2006

Molecular dynamics simulations of neutral chlorpromazine in zwitterionic phospholipid monolayers

scientific article published on 01 May 2006

Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors

scientific article

Molecular mechanism of peroxisome proliferator-activated receptor α activation by WY14643: a new mode of ligand recognition and receptor stabilization

scientific article

Molecular-dynamics simulations of dimethylsulfoxide-methanol mixtures

scientific article

Noncovalent Interaction with Graphene Oxide: The Crucial Role of Oxidative Debris

On the denaturation mechanisms of the ligand binding domain of thyroid hormone receptors

scientific article published in January 2010

Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach

scientific article published on 6 August 2008

Optical Kerr effect in supercooled water

scientific article published on 07 April 2005

Plant biomass recalcitrance: effect of hemicellulose composition on nanoscale forces that control cell wall strength.

scientific article published on 11 December 2013

Polarizability effects on the structure and dynamics of ionic liquids

scientific article published in April 2014

Rotational dynamics and polymerization of C60 in C60-cubane crystals: a molecular dynamics study.

scientific article

SARS-CoV-2 receptor is co-expressed with elements of the kinin-kallikrein, renin-angiotensin and coagulation systems in alveolar cells

scientific article published on 11 November 2020

Solvation of coumarin 314 at water/air interfaces containing anionic surfactants. I. Low coverage

scientific article published on 01 April 2005

Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms

scientific article

Structural modeling of high-affinity thyroid receptor-ligand complexes

scientific article published on 30 May 2010

Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium and catalytic mechanisms of GH45 subfamily C members

scientific article published on 27 February 2018

Supramolecular Interactions in Secondary Plant Cell Walls: Effect of Lignin Chemical Composition Revealed with the Molecular Theory of Solvation

scientific article

The Patterned Structure of Galactoglucomannan Suggests It May Bind to Cellulose in Seed Mucilage

scientific article published on 05 September 2018

The impact of O-glycan chemistry on the stability of intrinsically disordered proteins.

scientific article

The pattern of xylan acetylation suggests xylan may interact with cellulose microfibrils as a twofold helical screw in the secondary plant cell wall of Arabidopsis thaliana.

scientific article published on 15 July 2014

Thermostability Enhancement of GH 62 α- l -Arabinofuranosidase by Directed Evolution and Rational Design

scientific article published on 14 February 2024

X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding Module

scientific article

Paulina is supported by:

About Paulina

Help