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Theoretical and Computational Chemistry

Working Paper

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Yilong Zhou, Sigbjorn Bore, Andrea Tao, Francesco Paesani, Gaurav Arya

Version 1 posted 04 April 2023

284

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Theoretical and Computational Chemistry

Working Paper

Surface Stability and Morphology of Calcium Phosphate Tuned by pH Values and Lactic Acid Additives: Theoretical and Experimental Study

Hongwei Chen, Changchang Lv, Lin Guo, Ming Ma, Xiangfeng Li, Zhengyi Lan, Jun Huo, Hao Dong, Xiangdong Zhu, Qiang Zhu, Yuming Gu, Ziteng Liu, Jianjun Liu, Hangrong Chen, Xuefeng Guo, Jing Ma

Version 2 posted 24 November 2021

1,074

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Biological and Medicinal Chemistry

Working Paper

Bispecific PSMA-617 / RM2 Heterodimer for Theranostics Applications in Prostate Cancer

Christos Liolios, Danai Bouziotis, George Lambrinidis, Martin Schaefer, Wiebke Sihver, Evangelia-Alexandra Salvanou, Ulrike Bauder-Wuest, Martina Benesova, Klaus Kopka, Antonios Kolokouris, Penelope Bouziotis

Version 1 posted 11 January 2024

329

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Earth, Space, and Environmental Chemistry

Working Paper

Revealing the Impacts of Chemical Complexity on Submicron Sea Spray Aerosol Morphology

Abigail Dommer, Nicholas Wauer, Kyle Angle, Aakash Davasam, Patiemma Rubio, Man Luo, Clare Morris, Kimberly Prather, Vicki Grassian, Rommie Amaro

Version 1 posted 13 February 2023

352

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Physical Chemistry

Working Paper

Co-translocational Unfolding of HP35 in MIL-101(Cr) MOF

Oishika Jash, Anand Srivastava, Sundaram Balasubramanian

Version 1 posted 31 May 2024

87

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Biological and Medicinal Chemistry

Review

Nanobody Engineering: Computational Modelling and Design for Biomedical and Therapeutic Applications

Nehad El Salamouni, Jordan Cater, Lisanne Spenkelink, Haibo Yu

Version 2 posted 27 May 2024

508

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Physical Chemistry

Working Paper

Polymorph-Specific Solubility Prediction using Constant Chemical Potential Molecular Dynamics

Neha, Manya Aggarwal, Aashutosh Soni, Tarak Karmakar

Version 1 posted 21 March 2024

256

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7 results in molecular dynamics simulations in Keywords: molecular dynamics simulations

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Surface Stability and Morphology of Calcium Phosphate Tuned by pH Values and Lactic Acid Additives: Theoretical and Experimental Study

Bispecific PSMA-617 / RM2 Heterodimer for Theranostics Applications in Prostate Cancer

Revealing the Impacts of Chemical Complexity on Submicron Sea Spray Aerosol Morphology

Co-translocational Unfolding of HP35 in MIL-101(Cr) MOF

Nanobody Engineering: Computational Modelling and Design for Biomedical and Therapeutic Applications

Polymorph-Specific Solubility Prediction using Constant Chemical Potential Molecular Dynamics

7 results in Keywords: molecular dynamics simulations