Jeffery B. Klauda
2000–2025 年に発表
- 66
- 論文数
- 20,453
- 被引用数
- 41
- h 指数
- 58
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology57.3%
- Medicine14.1%
- Immunology and Microbiology5.4%
- Neuroscience4.5%
- Computer Science4%
- Chemistry2.4%
- その他12.3%
トピック
- 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%
- その他70.4%
共著者
- 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
全論文
- CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
著者: 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 被引用: 4,325
- CHARMM-GUI Membrane Builder toward realistic biological membrane simulations
著者: 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 被引用: 2,795
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
著者: 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 被引用: 4,712
- CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
著者: Sunhwan Jo, Joseph B. Lim, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2009 被引用: 1,792
- CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans
著者: 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 被引用: 675
- CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field
著者: Jumin Lee, Xi Cheng, Sunhwan Jo, Alexander D. MacKerell, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2016 被引用: 485
- CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides
著者: 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 被引用: 138
- Developing and Testing of Lipid Force Fields with Applications to Modeling Cellular Membranes
著者: Alison N. Leonard, Eric Wang, Viviana Monje‐Galvan, Jeffery B. Klauda - Chemical Reviews 2019 被引用: 116
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
著者: 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 被引用: 114
- GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules
著者: Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks - The Journal of Chemical Physics 2022 被引用: 48
- CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids
著者: Yalun Yu, Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor - Journal of Chemical Theory and Computation 2021 被引用: 116
- Engineering Escherichia coli membrane phospholipid head distribution improves tolerance and production of biorenewables
著者: Zaigao Tan, Pouyan Khakbaz, Yingxi Chen, Jeremy Lombardo, Jong Moon Yoon, Jacqueline V. Shanks, Jeffery B. Klauda, Laura R. Jarboe - Metabolic Engineering 2017 被引用: 113
- Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids
著者: 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 被引用: 36
- Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
著者: 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 被引用: 78
- CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model
著者: Yifei Qi, Xi Cheng, Jumin Lee, Josh V. Vermaas, Taras V. Pogorelov, Emad Tajkhorshid, Soohyung Park, Jeffery B. Klauda, Wonpil Im - Biophysical Journal 2015 被引用: 128
- CHARMM36 United Atom Chain Model for Lipids and Surfactants
著者: Sarah Lee, Alan Tran, Matthew Allsopp, Joseph B. Lim, Jérôme Hénin, Jeffery B. Klauda - The Journal of Physical Chemistry B 2013 被引用: 195
- Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation
著者: 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 被引用: 31
- CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature
著者: Richard M. Venable, Alexander J. Sodt, Brent Rogaski, Huan Rui, Elizabeth Hatcher, Alexander D. MacKerell, Richard W. Pastor, Jeffery B. Klauda - Biophysical Journal 2014 被引用: 227
- Bilayer Properties of Lipid A from Various Gram-Negative Bacteria
著者: Seonghoon Kim, Dhilon S. Patel, Soohyung Park, Joanna S.G. Slusky, Jeffery B. Klauda, Göran Widmalm, Wonpil Im - Biophysical Journal 2016 被引用: 117
- CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems
著者: Yifei Qi, Jumin Lee, Jeffery B. Klauda, Wonpil Im - Journal of Computational Chemistry, J. Comput. Chem. 2019 被引用: 73
- CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems
著者: Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2013 被引用: 112
- Update of the Cholesterol Force Field Parameters in CHARMM
著者: Joseph B. Lim, Brent Rogaski, Jeffery B. Klauda - The Journal of Physical Chemistry B 2011 被引用: 218
- Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains
著者: Jeffery B. Klauda, Viviana Monje‐Galvan, Taehoon Kim, Wonpil Im - The Journal of Physical Chemistry B 2012 被引用: 184
- E. coli Outer Membrane and Interactions with OmpLA
著者: Emilia L. Wu, Patrick J. Fleming, Min Sun Yeom, Göran Widmalm, Jeffery B. Klauda, Karen G. Fleming, Wonpil Im - Biophysical Journal 2014 被引用: 154
