Suchergebnisse - "Molecular Dynamics Simulation"

PubPharm (499)

1

A Drug Discovery Approach to a Reveal Novel Antioxidant Natural Source: The Case of Chestnut Burr Biomass

in: International Journal of Molecular Sciences | 2024

von Alfonso Trezza | Michela Geminiani | Giuseppe Cutrera | +5

2

Mechanism of drug resistance in HIV-1 protease subtype C in the presence of Atazanavir

in: Current Research in Structural Biology | 2024

von S.V. Sankaran | Sowmya R. Krishnan | Yasien Sayed | +1

3

CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism

in: eLife | 2024

von Mengyuan Xu | Torben Neelands | Alexander S Powers | +7

4

Comprehensive Similarity Algorithm and Molecular Dynamics Simulation-Assisted Terahertz Spectroscopy for Intelligent Matching Identification of Quorum Signal Molecules (N-Acyl-Homoserine Lactones)

in: International Journal of Molecular Sciences | 2024

von Lintong Zhang | Xiangzeng Kong | Fangfang Qu | +7

5

The Inhibition Effect of Epigallocatechin-3-Gallate on the Co-Aggregation of Amyloid-β and Human Islet Amyloid Polypeptide Revealed by Replica Exchange Molecular Dynamics Simulations

in: International Journal of Molecular Sciences | 2024

von Xuhua Li | Yu Zhang | Zhiwei Yang | +2

6

Computation of X-ray and Neutron Scattering Patterns to Benchmark Atomistic Simulations against Experiments

in: International Journal of Molecular Sciences | 2024

von Arnab Majumdar | Martin Müller | Sebastian Busch

7

Design and computational analysis of an effective multi-epitope vaccine candidate using subunit B of cholera toxin as a build-in adjuvant against urinary tract infections

in: BioImpacts | 2024

von Maryam Rezaei | Mehri Habibi | Parasoo Ehsani | +2

8

Expanding catalytic promiscuity of a bifunctional terpene synthase through a single mutation-induced change in hydrogen-bond network within the catalytic pocket

in: Synthetic and Systems Biotechnology | 2024

von Xinye Wang | Yiyi Huang | Weiyan Zhang | +8

9

Computational identification of candidate inhibitors for Dihydrofolate reductase in Acinetobacter baumannii

in: Current Research in Structural Biology | 2024

von Saurabh Kumar Bhati | Monika Jain | Jayaraman Muthukumaran | +1

10

Classification of MLH1 Missense VUS Using Protein Structure-Based Deep Learning-Ramachandran Plot-Molecular Dynamics Simulations Method

in: International Journal of Molecular Sciences | 2024

von Benjamin Tam | Zixin Qin | Bojin Zhao | +3

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