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Thomas E. Cheatham

medicinal chemistry department

68H指数
288论文数
5.2W被引数
收录论文 96
发表时间
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Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16CASP16中RNA周围复杂水分子和离子集合的盲预测
errProteins: Structure, Function, and Bioinformatics
IF0
err2025-11-08
err0
PREAI
errRachael C. Kretsch; Elisa Posani; Eugene F. Baulin; Janusz M. Bujnicki; Giovanni Bussi; Thomas E. Cheatham III; Shi-Jie Chen; Arne Elofsson; Masoud Amiri Farsani; Olivia N. Fisher; M. Michael Gromiha; Ayush Gupta; Michiaki Hamada; K. Harini; Gang Hu; David Huang; Junichi Iwakiri; Anika Jain; Yuki Kagaya; Daisuke Kihara; Sebastian Kmiecik; Sowmya Ramaswamy Krishnan; Ikuo Kurisaki; Olivier Languin-Cattoën; Jun Li; Shanshan Li; Karim Malekzadeh; Tsukasa Nakamura; Wentao Ni; Chandran Nithin; Michael Z. Palo; Joon Hong Park; Smita P. Pilla; Simón Poblete; Fabrizio Pucci; Pranav Punuru; Anouka Saha; Kengo Sato; Ambuj Srivastava; Genki Terashi; Emilia Tugolukova; Jacob Verburgt; Qiqige Wuyun; Gül H. Zerze; Kaiming Zhang; Sicheng Zhang; Wei Zheng; Yuanzhe Zhou; Wah Chiu; David A. Case; Rhiju Das
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Recent Developments in Amber Biomolecular Simulations琥珀生物分子模拟的最新进展
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
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Correction to “Molecular Modeling of Single- and Double-Hydrocarbon-Stapled Coiled-Coil Inhibitors against Bcr-Abl: Toward a Treatment Strategy for CML”更正“单重和双重碳氢化合物交联卷曲螺旋抑制剂的分子模拟：针对Bcr-Abl的治疗策略”
errThe Journal of Physical Chemistry B
IF0
err2025-07-03
err0
errOAAI
errMaria Carolina P. Lima; Braxten D. Hornsby; Carol S. Lim; Thomas E. Cheatham III
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modXNA: A Modular Approach to Parametrization of Modified Nucleic Acids for Use with Amber Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-29
err1
errOAAI
errLove, Olivia; Galindo-Murillo, Rodrigo; Roe, Daniel R.; Dans, Pablo D.; Cheatham III, Thomas E.; Bergonzo, Christina
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van der Waals Parameter Scanning with Amber Nucleic Acid Force Fields: Revisiting Means to Better Capture the RNA/DNA Structure through MD
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-29
err7
errOAAI
errLove, Olivia; Winkler, Lauren; Cheatham III, Thomas E.
err分享
err收藏
Assessment of A- to B- DNA Transitions Utilizing the Drude Polarizable Force Field
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-28
err5
errOAAI
errWinkler, Lauren; Galindo-Murillo, Rodrigo; Cheatham III, Thomas E.
err分享
err收藏
The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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Assessing the Current State of Amber Force Field Modifications for DNA2023 Edition
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-21
err24
errOAAI
errLove, Olivia; Galindo-Murillo, Rodrigo; Zgarbova, Marie; Sponer, Jiri; Jurecka, Petr; Cheatham, I. I. I. Thomas E.
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Benchmarking the Drude Polarizable Force Field Using the r(GACC) Tetranucleotide
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-03-30
err7
errOAAI
errWinkler, Lauren; Cheatham III, Thomas E.
err分享
err收藏
Structures and Dynamics of DNA Mini-Dumbbells Are Force Field Dependent
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-28
err8
errOAAI
errWinkler, Lauren; Galindo-Murillo, Rodrigo; Cheatham III, Thomas E.
err分享
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Systematic Investigation of Tether Length and Phosphorus Configuration in Backbone Constrained Macrocyclic Nucleic Acids to Modulate Binding Kinetics for RNA
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2023-03-01
err4
PREAI
errRajasekaran, Tamilselvan; Freestone, Graeme C.; Galindo-Murillo, Rodrigo; Lugato, Barbara; Gaus, Hans; Migawa, Michael T.; Swayze, Eric. E.; Cheatham III, Thomas E.; Seth, Punit P.; Hanessian, Stephen
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Backbone Hydrocarbon-Constrained Nucleic Acids Modulate Hybridization Kinetics for RNA
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-01-18
err7
errOAAI
errRajasekaran, Tamilselvan; Freestone, Graeme C.; Galindo-Murillo, Rodrigo; Lugato, Barbara; Rico, Lorena; Salinas, Juan C.; Gaus, Hans; Migawa, Michael T.; Swayze, Eric E.; Cheatham, Thomas E., III; Hanessian, Stephen; Seth, Punit P.
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Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-07-13
err36
errOAAI
errKessler, Julian L.; Kang, Grace; Qin, Zhao; Kang, Helen; Whitby, Frank G.; Cheatham, Thomas E., III; Hill, Christopher P.; Li, Yang; Yu, S. Michael
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Ethidium bromide interactions with DNA: an exploration of a classic DNA-ligand complex with unbiased molecular dynamics simulations
errNUCLEIC ACIDS RESEARCH
IF13.1
err2021-03-25
err83
errOAAI
errGalindo-Murillo, Rodrigo; Cheatham, Thomas E., III
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Parallelization of CPPTRAJ Enables Large Scale Analysis of Molecular Dynamics Trajectory DataCPPTRAJ的并行化实现了分子动力学轨迹数据的大规模分析
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-03
err116
errOAAI
errRoe, Daniel R.; Cheatham, Thomas E., III
err分享
err收藏
Defining a conformational ensemble that directs activation of PPARγ
errNATURE COMMUNICATIONS
IF15.7
err2018-05-04
err51
errOAAI
errChrisman, Ian M.; Nemetchek, Michelle D.; de Vera, Ian Mitchelle S.; Shang, Jinsai; Heidari, Zahra; Long, Yanan; Reyes-Caballero, Hermes; Galindo-Murillo, Rodrigo; Cheatham, Thomas E., III; Blayo, Anne-Laure; Shin, Youseung; Fuhrmann, Jakob; Griffin, Patrick R.; Kamenecka, Theodore M.; Kojetin, Douglas J.; Hughes, Travis S.
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Consensus Conformations of Dinucleoside Monophosphates Described with Well-Converged Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-11
err24
PREAI
errHayatshahi, Hamed S.; Henriksen, Niel M.; Cheatham, Thomas E., III
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Mg2+ Binding Promotes SLV as a Scaffold in Varkud Satellite Ribozyme SLI-SLV Kissing Loop Junction
errBIOPHYSICAL JOURNAL
IF3.1
err2017-07-01
err7
errOAAI
errBergonzo, Christina; Cheatham, Thomas E., III
err分享
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Application of Thiol-yne/Thiol-ene Reactions for Peptide and Protein Macrocyclizations硫醇-炔/硫醇-烯反应在肽和蛋白质大环化中的应用
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2017-04-26
err48
PREAI
errWang, Yuanxiang; Bruno, Benjamin J.; Cornillie, Sean; Nogieira, Jason M.; Chen, Diao; Cheatham, Thomas E., III; Lim, Carol S.; Chou, Danny Hung-Chieh
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Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2017-01-20
err26
PREAI
errZgarbova, Marie; Jurecka, Petr; Lankas, Filip; Cheatham, Thomas E., III; Sponer, Jiri; Otyepka, Michal
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研究方向

暂无研究方向
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