Klaus Schulten - Publications, H-index & Citations

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Klaus Schulten

University of Illinois System

145H-index

718Paper Count

15.7WCitation Count

Published Papers 298

Publication Date

Theoretical Description of the Primary Proton-Coupled Electron Transfer Reaction in the Cytochrome bc1 Complex

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2021-01-05

OAAI

Barragan, Angela M.; Soudackov, Alexander, V; Luthey-Schulten, Zaida; Hammes-Schiffer, Sharon; Schulten, Klaus; Solov'yov, Ilia A.

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Scalable molecular dynamics on CPU and GPU architectures with NAMD

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-07-30

1.9K

OAAI

Phillips, James C.; Hardy, David J.; Maia, Julio D. C.; Stone, John E.; Ribeiro, Joao, V; Bernardi, Rafael C.; Buch, Ronak; Fiorin, Giacomo; Henin, Jerome; Jiang, Wei; McGreevy, Ryan; Melo, Marcelo C. R.; Radak, Brian K.; Skeel, Robert D.; Singharoy, Abhishek; Wang, Yi; Roux, Benoit; Aksimentiev, Aleksei; Luthey-Schulten, Zaida; Kale, Laxmikant, V; Schulten, Klaus; Chipot, Christophe; Tajkhorshid, Emad

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In Situ Conformational Changes of the Escherichia coli Serine Chemoreceptor in Different Signaling States

MBIO

IF4.7

2019-08-27

OAAI

Yang, Wen; Cassidy, C. Keith; Ames, Peter; Diebolder, Christoph A.; Schulten, Klaus; Luthey-Schulten, Zaida; Parkinson, John S.; Briegel, Ariane

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Pro-Nifuroxazide Self-Assembly Leads to Triggerable Nanomedicine for Anti-cancer Therapy

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2019-04-23

OAAI

Misra, Santosh K.; Wu, Zhe; Ostadhossein, Fatemeh; Ye, Mao; Boateng, Kingsley; Schulten, Klaus; Tajkhorshid, Emad; Pan, Dipanjan

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Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2019-03-05

OAAI

Prigozhin, Maxim B.; Zhang, Yi; Schulten, Klaus; Gruebele, Martin; Pogorelov, Taras V.

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Unveiling the Rate-Limiting Step of the Bc1 Complex Reaction Mechanism

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

Barragan, Angela M.; Soudackov, Alexander V.; Luthey-Schulten, Zaida; Schulten, Klaus; Hammes-Schiffer, Sharon; Solov'yov, Ilia

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Fast Pressure Jump Reveals Site-Specific Protein Dehydration-Folding Dynamics

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

Prigozhin, Maxim B.; Zhang, Yi; Schulten, Klaus J.; Gruebele, Martin; Pogorelov, Taras V.

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Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein

MOLECULAR CELL

IF16.6

2018-09-01

OAAI

Lawson, Michael R.; Ma, Wen; Bellecourt, Michael J.; Artsimovitch, Irina; Martin, Andreas; Landick, Robert; Schulten, Klaus; Berger, James M.

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All-atom molecular dynamics of the HBV capsid reveals insights into biological function and cryo-EM resolution limits

ELIFE

IF0

2018-04-27

OAAI

Hadden, Jodi A.; Perilla, Juan R.; Schlicksup, Christopher John; Venkatakrishnan, Balasubramanian; Zlotnick, Adam; Schulten, Klaus

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Free-energy simulations reveal molecular mechanism for functional switch of a DNA helicase

ELIFE

IF0

2018-04-17

OAAI

Ma, Wen; Whitley, Kevin D.; Chemla, Yann R.; Luthey-Schulten, Zaida; Schulten, Klaus

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NAMD goes quantum: an integrative suite for hybrid simulations

NATURE METHODS

IF32.1

2018-03-26

159

OAAI

Melo, Marcelo C. R.; Bernardi, Rafael C.; Rudack, Till; Scheurer, Maximilian; Riplinger, Christoph; Phillips, James C.; Maia, Julio D. C.; Rocha, Gerd B.; Ribeiro, Joao V.; Stone, John E.; Neese, Frank; Schulten, Klaus; Luthey-Schulten, Zaida

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New QMMM Interface to NAMD Probes tRNA Charging Mechanism

BIOPHYSICAL JOURNAL

IF3.1

2018-02-01

OAAI

Melo, Marcelo C.; Bernardi, Rafael C.; Schulten, Klaus; Luthey-Schulten, Zaida

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Quenching protein dynamics interferes with HIV capsid maturation

NATURE COMMUNICATIONS

IF15.7

2017-11-24

OAAI

Wang, Mingzhang; Quinn, Caitlin M.; Perilla, Juan R.; Zhang, Huilan; Shirra, Randall, Jr.; Hou, Guangjin; Byeon, In-Ja; Suiter, Christopher L.; Ablan, Sherimay; Urano, Emiko; Nitz, Theodore J.; Aiken, Christopher; Freed, Eric O.; Zhang, Peijun; Schulten, Klaus; Gronenborn, Angela M.; Polenova, Tatyana

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Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-11-22

154

OAAI

Radak, Brian K.; Chipot, Christophe; Suh, Donghyuk; Jo, Sunhwan; Jiang, Wei; Phillips, James C.; Schulten, Klaus; Roux, Benoit

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CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction

SCIENCE ADVANCES

IF12.5

2017-09-01

OAAI

Alvarez, Frances J. D.; He, Shaoda; Perilla, Juan R.; Jang, Sooin; Schulten, Klaus; Engelman, Alan N.; Scheres, Sjors H. W.; Zhang, Peijun

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Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations

NATURE COMMUNICATIONS

IF15.7

2017-07-19

148

OAAI

Perilla, Juan R.; Schulten, Klaus

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Skeletal Dysplasia Mutations Effect on Human Filamins' Structure and Mechanosensing

SCIENTIFIC REPORTS

IF3.9

2017-06-26

OAAI

Seppala, Jonne; Bernardi, Rafael C.; Haataja, Tatu J. K.; Hellman, Maarit; Pentikainen, Olli T.; Schulten, Klaus; Permi, Perttu; Ylanne, Jari; Pentikainen, Ulla

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Angular measurements of the dynein ring reveal a stepping mechanism dependent on a flexible stalk

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2017-05-22

OAAI

Lippert, Lisa G.; Dadosh, Tali; Hadden, Jodi A.; Karnawat, Vishakha; Diroll, Benjamin T.; Murray, Christopher B.; Holzbaur, Erika L. F.; Schulten, Klaus; Reck-Peterson, Samara L.; Goldman, Yale E.

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Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-05-12

PREAI

Comer, Jeffrey; Schulten, Klaus; Chipot, Christophe

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Detection and mapping of DNA methylation with 2D material nanopores

NPJ 2D MATERIALS AND APPLICATIONS

IF8.8

2017-04-11

OAAI

Qiu, Hu; Sarathy, Aditya; Schulten, Klaus; Leburton, Jean-Pierre

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Research Directions