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Biological and Medicinal Chemistry

Working Paper

A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation

Alec Christian, Shang Jia, Patricia Zhang, Arismel Tena Meza, Matthew S. Sigman, Christopher Chang, F. Dean Toste

Version 1 posted 24 May 2019

840

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Physical Chemistry

Working Paper

General Cluster Sorption Isotherm

Christoph Buttersack

Version 1 posted 06 April 2020

606

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1

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

An Alternative Kinetic Model of the Iodide-Iodate Reaction for Its Use in Micromixing Investigations

Arturo Neissen Manzano Martinez, A. Sander Haase, Melissa Assirelli, John van der Schaaf

Version 2 posted 15 May 2020

806

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1

Citations

Theoretical and Computational Chemistry

Working Paper

In Silico Modeling and Scoring of PROTAC-Mediated Ternary Complex Poses

Junzhuo Liao, Xueqing Nie, Ilona Unarta, Spencer Ericksen, Weiping Tang

Version 3 posted 20 December 2021

2,035

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Polymer Science

Working Paper

Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning

Didac Martí, Rémi Pétuya, Emanuele Bosoni, Anne-Claude Dublanchet, Stephan Mohr, Fabien Léonforte

Version 1 posted 13 December 2023

544

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Organic Chemistry

Working Paper

An Automated Dual Modeling Approach to Accelerate Reaction Analysis and Optimization

Peter Sagmeister, Lukas Melnizky, Jason Williams, C. Oliver Kappe

Version 1 posted 05 March 2024

420

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Materials Chemistry

Review

Exploring Metal Electroplating for Energy Storage by Quartz Crystal Microbalance: a review

Viktor Vanoppen, Diethelm Johannsmann, Xu Hou, Jens Sjölund, Peter Broqvist, Erik J. Berg

Version 1 posted 07 March 2024

310

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Nanoscience

Working Paper

Improving the Conductance Blockage Model of Cylindrical Nanopores – from 2D to Thick Membranes

Martin Charron, Zachary Roelen, Vincent Tabard-Cossa

Version 1 posted 26 December 2023

302

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Theoretical and Computational Chemistry

Working Paper

BuildAMol: A versatile Python toolkit for fragment-based molecular design

Noah Kleinschmidt, Thomas Lemmin

Version 1 posted 01 July 2024

164

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Polymer Science

Working Paper

Effect of polymer architecture on the adsorption and coating stability on heterogeneous biomimetic surfaces

Irene Adroher-Benítez, Tatiana I. Morozova, Gabriel Catalini, Nicolás A. García, Jean-Louis Barrat, Gustavo S. Luengo, Fabien Léonforte

Version 1 posted 28 July 2023

192

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Refine Search

26 results in Modeling in Keywords: Modeling

A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation

General Cluster Sorption Isotherm

An Alternative Kinetic Model of the Iodide-Iodate Reaction for Its Use in Micromixing Investigations

In Silico Modeling and Scoring of PROTAC-Mediated Ternary Complex Poses

Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning

An Automated Dual Modeling Approach to Accelerate Reaction Analysis and Optimization

Exploring Metal Electroplating for Energy Storage by Quartz Crystal Microbalance: a review

Improving the Conductance Blockage Model of Cylindrical Nanopores – from 2D to Thick Membranes

BuildAMol: A versatile Python toolkit for fragment-based molecular design

Effect of polymer architecture on the adsorption and coating stability on heterogeneous biomimetic surfaces

26 results in Keywords: Modeling