User profiles for Muyun Lihan

Muyun Lihan

Schrödinger
Verified email at schrodinger.com
Cited by 276

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
The cellular membrane constitutes one of the most fundamental compartments of a living cell,
where key processes such as selective transport of material and exchange of information …

[HTML][HTML] Phosphatidic acid induces conformational changes in Sec18 protomers that prevent SNARE priming

…, AS Arango, LR Hurst, Z Zhao, M Lihan… - Journal of Biological …, 2019 - ASBMB
Eukaryotic cell homeostasis requires transfer of cellular components among organelles and
relies on membrane fusion catalyzed by SNARE proteins. Inactive SNARE bundles are …

Targeting lipid–protein interaction to treat Syk-mediated acute myeloid leukemia

I Singaram, A Sharma, S Pant, M Lihan, MJ Park… - Nature chemical …, 2023 - nature.com
Membrane lipids control the cellular activity of kinases containing the Src homology 2 (SH2)
domain through direct lipid–SH2 domain interactions. Here we report development of new …

Target‐template relationships in protein structure prediction and their effect on the accuracy of thermostability calculations

M Lihan, D Lupyan, D Oehme - Protein Science, 2023 - Wiley Online Library
Improving protein thermostability has been a labor‐ and time‐consuming process in
industrial applications of protein engineering. Advances in computational approaches have …

Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy …

D Coskun, M Lihan, JP Rodrigues, M Vass… - Journal of Chemical …, 2023 - ACS Publications
Free energy perturbation (FEP) remains an indispensable method for computationally assaying
prospective compounds in advance of synthesis. However, before FEP can be deployed …

[PDF][PDF] Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane

D Gorgun, M Lihan, K Kapoor, E Tajkhorshid - Biophysical journal, 2021 - cell.com
Infection of human cells by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV2)
relies on its binding to a specific receptor and subsequent fusion of the viral and host cell …

[PDF][PDF] Involvement of a Conserved Intramembrane Acidic Residue in Cholesterol Binding of Mitochondrial VDAC1 Revealed by Microsecond-Scale Simulations

M Lihan, E Tajkhorshid - Biophysical Journal, 2021 - cell.com
Voltage-dependent anion channel 1 (VDAC1), a β-barrel membrane protein abundant in the
mitochondrial outer membrane, mediates the exchange of ions and metabolites between …

[PDF][PDF] de novo Design and in silico Optimization of Antibody-Like Binders Targeting Ebola Viral Antigen

M Lihan, BC Goh, T Li, CD Maranas, K Shulten - Biophysical Journal, 2016 - cell.com
Since the Ebola outbreak in West Africa in February 2014, there has been an urgent need of
a sensitive, rapid and reliable diagnostic tool for early detection of Ebola virus. Targeting …

[PDF][PDF] Binding Mode of SARS-CoV2 Fusion Peptide to Human Cellular Membranes

D Gorgun, M Lihan, K Kapoor, E Tajkhorshid - Biophysical Journal, 2021 - cell.com
Infection of human cells by the SARS-CoV2 relies on its binding to a specific receptor and
subsequent fusion of the viral and the host cell membranes. The fusion peptide (FP), a short …

[PDF][PDF] Investigating cholesterol dynamics and interactions with the dopamine transporter using a membrane mimetic model

M Lihan, E Tajkhorshid - Biophysical Journal, 2018 - cell.com
Cholesterol, an integral component of animal lipid membranes, is involved in modulation of
both membrane physical properties and a wide variety of membrane proteins. Conventional …