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Thomas A. Darden

National Institute of Environmental Health Sciences

43H指数
170论文数
7.2K被引数
收录论文 42
发表时间
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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.
err分享
err收藏
Differential transactivation by the p53 transcription factor is highly dependent on p53 level and promoter target sequence
errMOLECULAR AND CELLULAR BIOLOGY
IF2.7
err2023-03-28
err192
errOAAI
errInga, A; Storici, F; Darden, TA; Resnick, MA
err分享
err收藏
A Finite Field Method for Calculating Molecular Polarizability Tensors for Arbitrary Multipole Rank
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-08-31
err27
errOAAI
errElking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.
err分享
err收藏
Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2010-09-08
err22
errOAAI
errElking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.
err分享
err收藏
Study of the Docking of Competitive Inhibitors at a Model of Tyrosinase Active Site: Insights from Joint Broken-Symmetry/Spin-Flip DFT Computations and ELF Topological Analysis
errINTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES
IF3.9
err2010-01-28
err11
errOAAI
errde la Lande, A.; Maddaluno, J.; Parisel, O.; Darden, T. A.; Piquemal, J-P
err分享
err收藏
Conformations and free energy landscapes of polyproline peptides聚脯氨酸肽的构象和自由能景观
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2009-12-08
err99
errOAAI
errMoradi, Mahmoud; Babin, Volodymyr; Roland, Christopher; Darden, Thomas A.; Sagui, Celeste
err分享
err收藏
Gaussian Multipole Model (GMM)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-11-23
err93
errOAAI
errElking, Dennis M.; Cisneros, G. Andres; Piquemal, Jean-Philip; Darden, Thomas A.; Pedersen, Lee G.
err分享
err收藏
Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-08-04
err134
errOAAI
errCerutti, David S.; Duke, Robert E.; Darden, Thomas A.; Lybrand, Terry P.
err分享
err收藏
Reaction Mechanism of the ε Subunit of E-coli DNA Polymerase III: Insights into Active Site Metal Coordination and Catalytically Significant Residues
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2009-01-02
err72
errOAAI
errCisneros, G. Andres; Perera, Lalith; Schaaper, Roel M.; Pedersen, Lars C.; London, Robert E.; Pedersen, Lee G.; Darden, Thomas A.
err分享
err收藏
Calculation of protein-ligand binding free energy by using a polarizable potential
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2008-04-29
err234
errOAAI
errJiao, Dian; Golubkov, Pavel A.; Darden, Thomas A.; Ren, Pengyu
err分享
err收藏
Anisotropic, polarizable molecular mechanics studies of inter- and intramoecular interactions and ligand-macromolecule complexes. A bottom-up strategy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2007-10-27
err359
errOAAI
errGresh, Nohad; Cisneros, G. Andres; Darden, Thomas A.; Piquemal, Jean-Philip
err分享
err收藏
The electrostatic surface term: (I) Periodic systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-03-26
err47
PREAI
errHerce, Henry David; Garcia, Angel Enrique; Darden, Thomas
err分享
err收藏
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-11-28
err84
errOAAI
errBabin, Volodymyr; Roland, Christopher; Darden, Thomas A.; Sagui, Celeste
err分享
err收藏
Avian multiple inositol polyphosphate phosphatase is an active phytase that can be engineered to help ameliorate the planet's phosphate crisis
errJOURNAL OF BIOTECHNOLOGY
IF3.9
err2006-11-01
err38
errOAAI
errCho, Jaiesoon; Choi, Kuicheon; Darden, Thomas; Reynolds, Paul R.; Petitte, James N.; Shears, Stephen B.
err分享
err收藏
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-08-04
err188
PREAI
errPiquemal, Jean-Philip; Perera, Lalith; Cisneros, G. Andres; Ren, Pengyu; Pedersen, Lee G.; Darden, Thomas A.
err分享
err收藏
Rac GTPase signaling through the PP5 protein phosphatase
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2006-03-20
err48
errOAAI
errGentile, S; Darden, T; Erxleben, C; Romeo, C; Russo, A; Martin, N; Rossie, S; Armstrong, DL
err分享
err收藏
Towards a force field based on density fitting
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-03-08
err195
errOAAI
errPiquemal, JP; Cisneros, GA; Reinhardt, P; Gresh, N; Darden, TA
err分享
err收藏
Structural determinants of slippage-mediated mutations by human immunodeficiency virus type 1 reverse transcriptase
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2006-03-01
err22
errOAAI
errHamburgh, ME; Curr, KA; Monaghan, M; Rao, VR; Tripathi, S; Preston, BD; Sarafianos, S; Arnold, E; Darden, T; Prasad, VR
err分享
err收藏
A role for K268 in V2R folding
errFEBS LETTERS
IF3
err2005-08-15
err4
errOAAI
errLe Gouill, C; Darden, T; Madziva, MT; Birnbaumer, M
err分享
err收藏
Surface solvation for an ion in a water cluster
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-12-23
err86
PREAI
errHerce, DH; Perera, L; Darden, TA; Sagui, C
err分享
err收藏

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