Publications

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455 Publications visible to you, out of a total of 455

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

Molecular and Cellular Modeling

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Abstract

Not specified

Authors: Ariane Nunes-Alves, Daria B. Kokh, Rebecca C. Wade

Date Published: 2021

Publication Type: Journal

DOI: 10.1016/j.crstbi.2021.04.001

Citation: Current Research in Structural Biology 3:106-111

Created: 14th May 2021 at 11:10, Last updated: 5th Mar 2024 at 21:24

Assessing ML-database augmentation approaches for Druggability Score calculations in TRAPP-pocket

Molecular and Cellular Modeling

Abstract

Not specified

Author: Pierre-Vincenzo De Marinis

Date Published: 2021

Publication Type: Bachelor's Thesis

Citation: Molecular Biotechnology, Faculty of Biosciences, Ruprecht-Karls University, Heidelberg

Created: 3rd Feb 2022 at 10:32, Last updated: 15th Oct 2024 at 13:37

Comparison of ligand docking to the AMPAR-TARP interaction site between different isoforms

Molecular and Cellular Modeling

Abstract

Not specified

Author: Lena Messner

Date Published: 2021

Publication Type: Bachelor's Thesis

Citation: Molecular Biotechnology, Faculty of Biosciences, Ruprecht-Karls University, Heidelberg, 2021

Created: 3rd Feb 2022 at 10:32, Last updated: 15th Oct 2024 at 13:37

Multi-Resolution Simulation Study of CYP 2B4 to Investigate Complex Formation with Human NADPH-Cytochrome P450 Oxidoreductase in Lipid Bilayer

Molecular and Cellular Modeling

Abstract

Not specified

Author: Sungho Bosco Han

Date Published: 2021

Publication Type: Master's Thesis

Citation: Molecular Biosciences, Faculty of Biosciences, Ruprecht-Karls University, Heidelberg

Created: 3rd Feb 2022 at 10:32, Last updated: 15th Oct 2024 at 13:38

The effects of the linker-DNA on linker histone positioning: a single-pair FRET study from mono to trichromatosomes

Molecular and Cellular Modeling

Abstract

Not specified

Author: Madhura De

Date Published: 2021

Publication Type: Doctoral Thesis

Citation: Combined Faculty for the Natural Sciences and Mathematics, Ruprecht-Karls University, Heidelberg

Created: 3rd Feb 2022 at 10:32, Last updated: 15th Oct 2024 at 13:40

What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Ariane Nunes-Alves, Angelica Mazzolari, Kenneth M. Merz

Date Published: 28th Dec 2020

Publication Type: Journal

DOI: 10.1021/acs.jcim.0c01248

Citation: J. Chem. Inf. Model. 60(12):5866-5867

Created: 30th Dec 2020 at 15:39, Last updated: 5th Mar 2024 at 21:24

The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Ghulam Mustafa, Prajwal P. Nandekar, Goutam Mukherjee, Neil J. Bruce, Rebecca C. Wade

Date Published: 1st Dec 2020

Publication Type: Journal

DOI: 10.1038/s41598-020-64129-7

Citation: Sci Rep 10(1),7284

Created: 29th Apr 2020 at 17:27, Last updated: 5th Mar 2024 at 21:24

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