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381 Publications visible to you, out of a total of 381

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, 2021, Goutam Mukherjee (HITS Tutor) and Rebecca C. Wade

Created: 3rd Feb 2022 at 10:32, Last updated: 5th Mar 2024 at 21:24

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, 2021, Katalin Toth (DKFZ) and Rebecca C. Wade (HITS Tutor)

Created: 3rd Feb 2022 at 10:32, Last updated: 5th Mar 2024 at 21:24

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

Computation of FRAP recovery times for linker histone – chromatin binding on the basis of Brownian dynamics simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Mehmet Ali Öztürk, Rebecca C. Wade

Date Published: 1st Oct 2020

Publication Type: Journal

DOI: 10.1016/j.bbagen.2020.129653

Citation: Biochimica et Biophysica Acta (BBA) - General Subjects 1864(10):129653

Created: 17th Jun 2020 at 08:55, Last updated: 5th Mar 2024 at 21:24

Recent progress in molecular simulation methods for drug binding kinetics

Molecular and Cellular Modeling

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Abstract

Not specified

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

Date Published: 1st Oct 2020

Publication Type: Journal

DOI: 10.1016/j.sbi.2020.06.022

Citation: Current Opinion in Structural Biology 64:126-133

Created: 7th Aug 2020 at 14:51, Last updated: 5th Mar 2024 at 21:24

A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories

Molecular and Cellular Modeling

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Abstract

Not specified

Authors: Daria B. Kokh, Bernd Doser, Stefan Richter, Fabian Ormersbach, Xingyi Cheng, Rebecca C. Wade

Date Published: 28th Sep 2020

Publication Type: Journal

DOI: 10.1063/5.0019088

Citation: J. Chem. Phys. 153(12):125102

Created: 27th Sep 2020 at 07:47, Last updated: 5th Mar 2024 at 21:24

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