Spatial electron distribution and population analysis of amides, carboxylic acid, and peptides, and their relation to empirical potential functions

Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics.

Journal of computer-aided molecular design·2018

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Journal of computer-aided molecular design·2018

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Journal of chemical theory and computation·2015

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Biochemistry·2011

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Current opinion in structural biology·2001

Derivation of class II force fields. VI. Carbohydrate compounds and anomeric effects.

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Molecular Interactions Between Bacteriorhodopsin Protein Embedded Within Purple Membrane and the Surfaces of Polyvinyl Alcohol (PVA) and Graphene.

Biopolymers·2026

Pre-Esterification Dry Heat Treatment Enhances the Functional Properties of Starch Citrate: Enzyme Resistance and Water Absorption.

Biopolymers·2026

Biogenic Silver Nanoparticles-Loaded Collagen-L-Lysine Matrices in Gel and Spray Formulations for Improved Skin Wound Repair.

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Biopolymers·2026

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Advanced materials (Deerfield Beach, Fla.)·2026

Computational insights into Li+ coordination and redox stability of Sulfolane vs. ethylene carbonate electrolytes: A DFT study with literature benchmarking.

Journal of molecular graphics & modelling·2026

Measurements of temperatures and species in CO2 post-shock thermochemical non-equilibrium.

The Journal of chemical physics·2026

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The Journal of chemical physics·2026

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The Journal of chemical physics·2026

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The Journal of chemical physics·2026

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Spatial electron distribution and population analysis of amides, carboxylic acid, and peptides, and their relation to

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Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics.

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Related Experiment Videos

Spatial electron distribution and population analysis of amides, carboxylic acid, and peptides, and their relation to...

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Spatial electron distribution and population analysis of amides, carboxylic acid, and peptides, and their relation to