Jeffery B. Klauda
Active 2000–2025
- 66
- Papers
- 20,453
- Citations
- 41
- h-index
- 58
- i10-index
Citations
Citation sources
Countries
Institutions
Fields
- Biochemistry, Genetics and Molecular Biology57.3%
- Medicine14.1%
- Immunology and Microbiology5.4%
- Neuroscience4.5%
- Computer Science4%
- Chemistry2.4%
- Other12.3%
Topics
- Lipid Membrane Structure and Behavior10.3%
- Protein Structure and Dynamics7.6%
- Receptor Mechanisms and Signaling3.6%
- Computational Drug Discovery Methods3.1%
- Spectroscopy and Quantum Chemical Studies2.8%
- Ion channel regulation and function2.2%
- Other70.4%
Coauthors
- Wonpil Im19
- Bernard R. Brooks14
- Richard W. Pastor12
- Richard M. Venable9
- Sunhwan Jo9
- Alexander D. MacKerell7
- Jumin Lee7
- Xi Cheng7
- Yifei Qi7
- Göran Widmalm6
- Mahdi Ghorbani6
- Viviana Monje‐Galvan6
- Eric Wang5
- Yalun Yu5
- Andreas Krämer4
- Emilia L. Wu4
- Joseph B. Lim4
- Min Sun Yeom4
- Dhilon S. Patel3
- Huan Rui3
- Seonghoon Kim3
- Soohyung Park3
- Stanley I. Sandler3
- Alison N. Leonard2
All papers
- CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Authors: Jumin Lee, Xi Cheng, Jason Swails, Min Sun Yeom, Peter Eastman, Justin A. Lemkul, Shuai Wei, Joshua Buckner, Jong Cheol Jeong, Yifei Qi, Sunhwan Jo, Vijay S. Pande, David A. Case, Charles L. Brooks, Alexander D. MacKerell, Jeffery B. Klauda, Wonpil Im - Journal of Chemical Theory and Computation 2015 cited by 4,325
- CHARMM-GUI Membrane Builder toward realistic biological membrane simulations
Authors: Emilia L. Wu, Xi Cheng, Sunhwan Jo, Huan Rui, Kevin C. Song, Eder M. Dávila-Contreras, Yifei Qi, Jumin Lee, Viviana Monje-Galvan, Richard M. Venable, Jeffery B. Klauda, Wonpil Im - Journal of Computational Chemistry, J. Comput. Chem. 2014 cited by 2,795
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
Authors: Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites, Joseph W. O’Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D. MacKerell, Richard W. Pastor - The Journal of Physical Chemistry B 2010 cited by 4,712
- CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
Authors: Sunhwan Jo, Joseph B. Lim, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2009 cited by 1,792
- CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans
Authors: Jumin Lee, Dhilon S. Patel, Jonas Ståhle, Sang‐Jun Park, Nathan R. Kern, Seonghoon Kim, Joon-Seong Lee, Xi Cheng, Miguel A. Valvano, Otto Holst, Yuriy A. Knirel, Yifei Qi, Sunhwan Jo, Jeffery B. Klauda, Göran Widmalm, Wonpil Im - Journal of Chemical Theory and Computation 2018 cited by 675
- CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field
Authors: Jumin Lee, Xi Cheng, Sunhwan Jo, Alexander D. MacKerell, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2016 cited by 485
- CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides
Authors: Ya Gao, Jumin Lee, Iain Peter Shand Smith, Hwayoung Lee, Seonghoon Kim, Yifei Qi, Jeffery B. Klauda, Göran Widmalm, Syma Khalid, Wonpil Im - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2021 cited by 138
- Developing and Testing of Lipid Force Fields with Applications to Modeling Cellular Membranes
Authors: Alison N. Leonard, Eric Wang, Viviana Monje‐Galvan, Jeffery B. Klauda - Chemical Reviews 2019 cited by 116
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Authors: Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih‐Wei Chu, Michael F. Crowley, Qiang Cui, A. Damjanović, Yuqing Deng, M. Devereux, Xinqiang Ding, Michael Feig, Jiali Gao, David R. Glowacki, James E. Gonzales, Mehdi Bagheri Hamaneh, Edward Harder, Ryan L. Hayes, Jing Huang, Yandong Huang, Phillip S. Hudson, Wonpil Im, Shahidul M. Islam, Wei Jiang, Michael R. Jones, Silvan Käser, Fiona L. Kearns, Nathan R. Kern, Jeffery B. Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A. Lemkul, Xiaorong Liu, Yun Luo, Alexander D. MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W. Pastor, Amanda R. Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, Yifei Qi, Thenmalarchelvi Rathinavelan, Daniel R. Roe, Benoı̂t Roux, Christopher N. Rowley, Jana Shen, Andrew C. Simmonett, Alexander J. Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M. Venable, Luke Warrensford, H. Lee Woodcock, Yujin Wu, Charles L. Brooks, Bernard R. Brooks, Martin Karplus - The Journal of Physical Chemistry B 2024 cited by 114
- GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules
Authors: Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks - The Journal of Chemical Physics 2022 cited by 48
- CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids
Authors: Yalun Yu, Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor - Journal of Chemical Theory and Computation 2021 cited by 116
- Engineering Escherichia coli membrane phospholipid head distribution improves tolerance and production of biorenewables
Authors: Zaigao Tan, Pouyan Khakbaz, Yingxi Chen, Jeremy Lombardo, Jong Moon Yoon, Jacqueline V. Shanks, Jeffery B. Klauda, Laura R. Jarboe - Metabolic Engineering 2017 cited by 113
- Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids
Authors: Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor, Benoı̂t Roux, Alexander D. MacKerell, Jeffery B. Klauda - Journal of Chemical Theory and Computation 2023 cited by 36
- Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
Authors: Yalun Yu, Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B. Klauda, Richard W. Pastor, Bernard R. Brooks - Journal of Chemical Theory and Computation 2021 cited by 78
- CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model
Authors: Yifei Qi, Xi Cheng, Jumin Lee, Josh V. Vermaas, Taras V. Pogorelov, Emad Tajkhorshid, Soohyung Park, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2015 cited by 128
- CHARMM36 United Atom Chain Model for Lipids and Surfactants
Authors: Sarah Lee, Alan Tran, Matthew Allsopp, Joseph B. Lim, Jérôme Hénin, Jeffery B. Klauda - The Journal of Physical Chemistry B 2013 cited by 195
- Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation
Authors: Robert Allsopp, Ànna Pavlova, Tyler Cline, Aria Salyapongse, Richard E. Gillilan, Y. Peter Di, Berthony Deslouches, Jeffery B. Klauda, James C. Gumbart, Stephanie Tristram‐Nagle - The Journal of Physical Chemistry B 2022 cited by 31
- CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature
Authors: Richard M. Venable, Alexander J. Sodt, Brent Rogaski, Huan Rui, Elizabeth Hatcher, Alexander D. MacKerell, Richard W. Pastor, Jeffery B. Klauda - Biophysical Journal 2014 cited by 227
- Bilayer Properties of Lipid A from Various Gram-Negative Bacteria
Authors: Seonghoon Kim, Dhilon S. Patel, Soohyung Park, Joanna S.G. Slusky, Jeffery B. Klauda, Göran Widmalm, Wonpil Im - Biophysical Journal 2016 cited by 117
- CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems
Authors: Yifei Qi, Jumin Lee, Jeffery B. Klauda, Wonpil Im - Journal of Computational Chemistry, J. Comput. Chem. 2019 cited by 73
- CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems
Authors: Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2013 cited by 112
- Update of the Cholesterol Force Field Parameters in CHARMM
Authors: Joseph B. Lim, Brent Rogaski, Jeffery B. Klauda - The Journal of Physical Chemistry B 2011 cited by 218
- Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains
Authors: Jeffery B. Klauda, Viviana Monje‐Galvan, Taehoon Kim, Wonpil Im - The Journal of Physical Chemistry B 2012 cited by 184
- E. coli Outer Membrane and Interactions with OmpLA
Authors: Emilia L. Wu, Patrick J. Fleming, Min Sun Yeom, Göran Widmalm, Jeffery B. Klauda, Karen G. Fleming, Wonpil Im - Biophysical Journal 2014 cited by 154
