List of works - Jamshed Anwar

A molecular dynamics simulation study of the effects of defects on the transformation pressure of polymorphic phase transformations

article

Ab initiostructure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

article published in 1999

An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure

scientific article

An optimized force field for crystalline phases of resorcinol

Analysis of time-resolved powder diffraction data using a pattern-decomposition method with restraints

Asymmetric Crystal Growth of α-Resorcinol from the Vapor Phase: Surface Reconstruction and Conformational Change Are the Culprits

scholarly article by Jamshed Anwar et al published 16 July 2007 in Angewandte Chemie International Edition

Breaching the skin barrier--insights from molecular simulation of model membranes

scientific article published on 03 March 2012

Calculation of the melting point of NaCl by molecular simulation

article published in 2003

Challenges in molecular simulation of homogeneous ice nucleation

Chemically induced phospholipid translocation across biological membranes

scientific article

Collective displacements in a molecular crystal polymorphic transformation

article

Computer Simulation of Crystallization from Solution

scientific article published in 1998

Computer simulation of crystal-liquid interface: application to wettability of solids

scientific article published on 01 July 1996

Conceptual, self-assembling graphene nanocontainers.

scientific article published on 30 June 2015

Concerted Molecular Displacements in a Thermally-Induced Solid-State Transformation in Crystals of DL-Norleucine

scientific article published in 2007

Crystallization of polymorphs: the effect of solvent

DL-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation

article

Defect-mediated trafficking across cell membranes: insights from in silico modeling

scientific article published on October 2010

Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface.

scientific article published on 24 January 2008

Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

scientific article published in January 2010

Ice Ih-Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions

scientific article published on 11 June 2012

Interaction of Oleic Acid with Dipalmitoylphosphatidylcholine (DPPC) Bilayers Simulated by Molecular Dynamics

Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance

scientific article published in February 2009

Ion transport through chemically induced pores in protein-free phospholipid membranes

scientific article published on 6 November 2007

Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction

article

Mode of Action and Design Rules for Additives That Modulate Crystal Nucleation

scholarly article by Jamshed Anwar et al published 20 January 2009 in Angewandte Chemie International Edition

Modulating the skin barrier function by DMSO: molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores

article

Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethyl sulfoxide.

scientific article published on 28 July 2007

Molecular Dynamics Simulations of Granular Compaction

article

Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes

scientific article published on 01 November 2006

Molecular dynamics simulation of a polysorbate 80 micelle in water

article

Molecular dynamics simulations of granular compaction: The single granule case

Molecular self-assembly and clustering in nucleation processes: general discussion

scientific article published on 15 June 2015

Nanocrystal Preparation: Low-Energy Precipitation Method Revisited

Nanocrystal Recovery by Use of Carrier Particles

Nanofiber-based delivery of therapeutic peptides to the brain

scientific article published on 10 January 2013

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

scientific article published in 2022

Prediction of the Mechanical Behaviour of Crystalline Solids

scientific article published on 16 August 2011

Robust and accurate method for free-energy calculation of charged molecular systems

Secondary Crystal Nucleation: Nuclei Breeding Factory Uncovered

scientific article published on 25 March 2015

Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers

scientific article published on 15 August 2008

Size-dependent phase stability of a molecular nanocrystal: a proxy for investigating the early stages of crystallization

scientific article published on 25 August 2011

Solid-solid phase equilibria in the NaCl-KCl system

scientific article published on 01 April 2020

Solubility prediction for a soluble organic molecule via chemical potentials from density of states

scientific article published on 01 November 2019

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Structure of ice crystallized from supercooled water

scientific article published on 9 January 2012

Study of the effect of solvent on the morphology of crystals using molecular simulation: application to α-resorcinol and N-n-octyl-D-gluconamide

Synthesis and Characterization of Biodegradable Hydrogels for Oral Delivery of 5-Fluorouracil Targeted to Colon: Screening with Preliminary In Vivo Studies

scholarly article by Muhammad Usman Minhas et al published 12 February 2016 in Advances in Polymer Technology

The Molecular Mechanism of α-Resorcinol’s Asymmetric Crystal Growth from the Melt

article published in 2015

The Riddle of Resorcinol Crystal Growth Revisited: Molecular Dynamics Simulations of α-Resorcinol Crystal−Water Interface

article

The human skin barrier is organized as stacked bilayers of fully extended ceramides with cholesterol molecules associated with the ceramide sphingoid moiety

scientific article published on 26 April 2012

The permeability enhancing mechanism of DMSO in ceramide bilayers simulated by molecular dynamics

scientific article

The use of fast powder diffraction methods to study transformations

Two-Step Nucleation Rather than Self-Poisoning: An Unexpected Mechanism of Asymmetrical Molecular Crystal Growth

article by Philipp Ectors et al published 24 September 2015 in Crystal Growth & Design

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation

scientific article published on 26 January 2011

List of works by Jamshed Anwar

A molecular dynamics simulation study of the effects of defects on the transformation pressure of polymorphic phase transformations

Ab initiostructure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure

An optimized force field for crystalline phases of resorcinol

Analysis of time-resolved powder diffraction data using a pattern-decomposition method with restraints

Asymmetric Crystal Growth of α-Resorcinol from the Vapor Phase: Surface Reconstruction and Conformational Change Are the Culprits

Breaching the skin barrier--insights from molecular simulation of model membranes

Calculation of the melting point of NaCl by molecular simulation

Challenges in molecular simulation of homogeneous ice nucleation

Chemically induced phospholipid translocation across biological membranes

Collective displacements in a molecular crystal polymorphic transformation

Computer Simulation of Crystallization from Solution

Computer simulation of crystal-liquid interface: application to wettability of solids

Conceptual, self-assembling graphene nanocontainers.

Concerted Molecular Displacements in a Thermally-Induced Solid-State Transformation in Crystals of DL-Norleucine

Crystallization of polymorphs: the effect of solvent

DL-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation

Defect-mediated trafficking across cell membranes: insights from in silico modeling

Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface.

Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

Ice Ih-Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions

Interaction of Oleic Acid with Dipalmitoylphosphatidylcholine (DPPC) Bilayers Simulated by Molecular Dynamics

Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance

Ion transport through chemically induced pores in protein-free phospholipid membranes

Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction

Mode of Action and Design Rules for Additives That Modulate Crystal Nucleation

Modulating the skin barrier function by DMSO: molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores

Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethyl sulfoxide.

Molecular Dynamics Simulations of Granular Compaction

Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes

Molecular dynamics simulation of a polysorbate 80 micelle in water

Molecular dynamics simulations of granular compaction: The single granule case

Molecular self-assembly and clustering in nucleation processes: general discussion

Nanocrystal Preparation: Low-Energy Precipitation Method Revisited

Nanocrystal Recovery by Use of Carrier Particles

Nanofiber-based delivery of therapeutic peptides to the brain

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

Prediction of the Mechanical Behaviour of Crystalline Solids

Robust and accurate method for free-energy calculation of charged molecular systems

Secondary Crystal Nucleation: Nuclei Breeding Factory Uncovered

Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers

Size-dependent phase stability of a molecular nanocrystal: a proxy for investigating the early stages of crystallization

Solid-solid phase equilibria in the NaCl-KCl system

Solubility prediction for a soluble organic molecule via chemical potentials from density of states

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Structure of ice crystallized from supercooled water

Study of the effect of solvent on the morphology of crystals using molecular simulation: application to α-resorcinol and N-n-octyl-D-gluconamide

Synthesis and Characterization of Biodegradable Hydrogels for Oral Delivery of 5-Fluorouracil Targeted to Colon: Screening with Preliminary In Vivo Studies

The Molecular Mechanism of α-Resorcinol’s Asymmetric Crystal Growth from the Melt

The Riddle of Resorcinol Crystal Growth Revisited: Molecular Dynamics Simulations of α-Resorcinol Crystal−Water Interface

The human skin barrier is organized as stacked bilayers of fully extended ceramides with cholesterol molecules associated with the ceramide sphingoid moiety

The permeability enhancing mechanism of DMSO in ceramide bilayers simulated by molecular dynamics

The use of fast powder diffraction methods to study transformations

Two-Step Nucleation Rather than Self-Poisoning: An Unexpected Mechanism of Asymmetrical Molecular Crystal Growth

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation