7 research outputs found
AMBER 22 Reference Manual
- Author
- Belfon Kellon
- Berryman Josh
- Case David A
- Cerutti David
- Cheatham III Thomas E
- Darden Thomas
- Duke Robert E
- ET ALIA
- Gohlke Holger
- Götz Andreas W
- Harris Robert
- Izadi Saeed
- Izmailov Sergei A
- Kasavajhala Koushik
- King Edward
- Lee Taisung
- LeGrand Scott
- Li Pengfei
- Luo Ray
- Merz Kenneth M
- Mikhailovskii Oleg
- Onufriev Alexei
- Pan Feng
- Qi Ruxi
- Roe Daniel R
- Roitberg Adrian
- Sagui Celeste
- Schott-Verdugo Stephan
- Shen Jana
- Simmerling Carlos
- Skrynnikov Nikolai R
- Smith Jamie
- Swails Jason
- Walker Ross C
- Wang Junmei
- Wei Haixin
- Xiong Yeyue
- Xiongwu Wu
- Xue Yi
- Zhao Shiji
- Publication venue
- CA, San Francisco : University of California
- Publication date
- 01/01/2022
- Field of study
John M. Schofield and the ‘Multipurpose’ Army
- Author
- Barrows Chester L.
- Bell Roger
- Bensel Richard Franklin
- Boylan Bernard L.
- Calhoun Charles W.
- Campbell Ballard C.
- Castel Albert E.
- Coakley Robert W.
- Dailey Jane E.
- Dawson Joseph G.
- Eaton Dorman B.
- Gates John M.
- Hanna Alfred Jackson
- Huntington Samuel P.
- Jamieson Perry D.
- Langley Lester D.
- Laurie Clayton D.
- Lowe Richard G.
- Maddox Jack P.
- Marszalek John F.
- McDonough James Lee
- Mixon Robert W.
- Neely Mark E. Jr.
- Painter Nell Irwin
- Prucha Francis Paul
- Richardson Heather Cox
- Robert Wooster
- Schofield John
- Schoonover Thomas
- Sefton James E.
- Smith Jean Edward
- Swails Thomas W.
- Tate Merze
- Tate Michael L.
- Thompson Margaret Susan
- Trefousse Hans L.
- Utley Robert M.
- Weigley Russell
- Wilson James H.
- Wooster Robert
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- ———
- ———
- ———
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study
AmberTools
- Author
- Aktulga Hasan Metin
- Belfon Kellon
- Case David A.
- Cerutti David S.
- Cheatham Thomas E.
- Cisneros G. Andrés
- Cruzeiro Vinícius Wilian D.
- Forouzesh Negin
- Giese Timothy J.
- Gohlke Holger
- Götz Andreas W.
- Izadi Saeed
- Kasavajhala Koushik
- Kaymak Mehmet C.
- King Edward
- Kurtzman Tom
- Lee Tai-Sung
- Li Pengfei
- Liu Jian
- Luchko Tyler
- Luo Ray
- Machado Matias R.
- Manathunga Madushanka
- Merz Kenneth M.
- Nagan Maria C.
- Nguyen Hai Minh
- Onufriev Alexey V.
- O’Hearn Kurt A.
- Pan Feng
- Pantano Sergio
- Qi Ruxi
- Rahnamoun Ali
- Risheh Ali
- Roe Daniel R.
- Roitberg Adrian
- Schott-Verdugo Stephan
- Shajan Akhil
- Simmerling Carlos
- Swails Jason
- Wang Junmei
- Wei Haixin
- Wu Xiongwu
- Wu Yongxian
- York Darrin M.
- Zhang Shi
- Zhao Shiji
- Zhu Qiang
- Publication venue
- American Chemical Society
- Publication date
- 01/01/2023
- Field of study
Recommended from our members
AmberTools
- Author
- Aktulga Hasan Metin
- Belfon Kellon
- Case David A
- Cerutti David S
- Cheatham Thomas E
- Cisneros G Andrés
- Cruzeiro Vinícius Wilian D
- Forouzesh Negin
- Giese Timothy J
- Gohlke Holger
- Götz Andreas W
- Izadi Saeed
- Kasavajhala Koushik
- Kaymak Mehmet C
- King Edward
- Kurtzman Tom
- Lee Tai-Sung
- Li Pengfei
- Liu Jian
- Luchko Tyler
- Luo Ray
- Machado Matias R
- Manathunga Madushanka
- Merz Kenneth M
- Nagan Maria C
- Nguyen Hai Minh
- Onufriev Alexey V
- O’Hearn Kurt A
- Pan Feng
- Pantano Sergio
- Qi Ruxi
- Rahnamoun Ali
- Risheh Ali
- Roe Daniel R
- Roitberg Adrian
- Schott-Verdugo Stephan
- Shajan Akhil
- Simmerling Carlos
- Swails Jason
- Wang Junmei
- Wei Haixin
- Wu Xiongwu
- Wu Yongxian
- York Darrin M
- Zhang Shi
- Zhao Shiji
- Zhu Qiang
- Publication venue
- eScholarship, University of California
- Publication date
- 01/01/2023
- Field of study
AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note
Quantum Mechanics/Molecular Mechanics Restrained Electrostatic Potential Fitting
- Author
- Archontis G.
- Avbelj F.
- Bashford D.
- Bayly C. I.
- Besler B. H.
- Boissy G.
- Bultinck P.
- Burger S. K.
- Burger S. K.
- Chipot C.
- Chirlian L. E.
- Cho A. E.
- Cieplak P.
- Cisneros G. A.
- Cornell W. D.
- Cornell W. D.
- Davies M. N.
- Dillet V.
- Dror R. O.
- Duan Y.
- Edgcomb S. P.
- Engkvist O.
- Feig M.
- Genheden S.
- Gladysheva T.
- Gresh N.
- Harata K.
- Hornak V.
- Hu H.
- Huang R. B.
- Isom D. G.
- Jeremy Schofield
- Kaminski G. A.
- Karplus M.
- Keim P.
- Koch U.
- Kollman P.
- Krooshof G. H.
- Kuehner D. E.
- Langsetmo K.
- MacKerell A. D.
- Onufriev A.
- Papoian G. A.
- Paul W. Ayers
- Piquemal J.-P.
- Ponder J. W.
- Rappe A. K.
- Ren P.
- Reynolds C. A.
- Riccardi D.
- Seifert G.
- Shaw D. E.
- Shaw D. E.
- Simonson T.
- Soderhjelm P.
- Steven K. Burger
- Sung S. S.
- Swails J. M.
- Tanford C.
- Thomas A.
- Thomas A.
- Thurlkill R. L.
- Verstraelen T.
- Verstraelen T.
- Warshel A.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA Tetranucleotide
- Author
- Abraham M. J.
- Adrian E. Roitberg
- Case D. A.
- Case D. A.
- Cheatham T. E.
- Chen A. A.
- Christina Bergonzo
- Daniel R. Roe
- Fukunishi H.
- Garcia A. E.
- Götz A. W.
- Hansmann U. H. E.
- Henriksen N. M.
- Jason M. Swails
- Jorgensen W. L.
- Joung I. S.
- Kannan S.
- Kara M.
- Kim S.
- Krepl M.
- Kullback S.
- Kührová P.
- Le Grand S.
- Loncharich R. J.
- Lyman E.
- McDowell S. E.
- Meister G.
- Meng Y.
- Niel M. Henriksen
- Okur A.
- Okur A.
- Paladino A.
- Periole X.
- Pérez A.
- Roe D. R.
- Ryckaert J.-P.
- Salomon-Ferrer R.
- Sanbonmatsu K. Y.
- Shao J.
- Sindhikara D. J.
- Sorin E. J.
- Sorin E. J.
- Steinbrecher T.
- Sugita Y.
- Sugita Y.
- Thomas E. Cheatham
- Tubbs J. D.
- Wang J.
- Wolf M. G.
- Yildirim I.
- Yildirim I.
- Zgarbová M.
- Zhang W.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Constant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian Exchange
- Author
- Alexov E.
- Ana Damjanović
- Anderson D. E.
- Baptista A. M.
- Baptista A. M.
- Bashford D.
- Benjamin T. Miller
- Bennett C. H.
- Bernard R. Brooks
- Best R. B.
- Brooks B. R.
- Börjesson U.
- Bürgi R.
- Chiang C. M.
- Chiang C. M.
- Chipot C.
- Christ C. D.
- Christ C. D.
- Christ C. D.
- Chu J.-W.
- Cuello L. G.
- Curuksu J.
- Damjanović A.
- Damjanović A.
- Damjanović A.
- Davies R.
- Denisov V. P.
- Dlugosz M.
- Dlugosz M.
- Donnini S.
- Doster W.
- Fitch C. A.
- Fukunishi H.
- García-Moreno E B.
- Gennett T.
- Georgescu R. E.
- Gilson M.
- Goh G. B.
- Goh G. B.
- Grunwald E.
- Han K.-K.
- Hoff W. D.
- Hoover W.
- Humphrey W.
- Hünenberger P. H.
- Isom D. G.
- Isom D. G.
- Itoh S. G.
- Jensen J. H.
- Jiang W.
- Juyong Lee
- Kamerlin S. C. L.
- Kannan S.
- Kelly J. W.
- Khandogin J.
- Khandogin J.
- Kong X.
- Kyte J.
- König G.
- König G.
- König G.
- Laghaei R.
- Laghaei R.
- Lanyi J. K.
- Lee D.
- Lee M. S.
- Lill M. A.
- Liu P.
- Llopis J.
- Lopes P. E. M.
- Lu N.
- Machuqueiro M.
- MacKerell A.
- Matthew J. B.
- Meng Y.
- Mertz J. E.
- Merz K. M.
- Miller B. T.
- Mongan J.
- Muñoz V.
- Nose S.
- Nozaki Y.
- Ponder J. W.
- Radmer R. J.
- Rastogi V. K.
- Riccardi D.
- Sabri Dashti D.
- Sagnella D. E.
- Schaefer M.
- Schlesinger P. H.
- Schnell J. R.
- Seksek O.
- Singhal A. K.
- Stern H. A.
- Sugita Y.
- Swails J. M.
- Tan A.
- Tanford C.
- Thomas P.
- Valleau J.
- Voth G. A.
- Wallace J. A.
- Wallace J. A.
- Wang L.
- Warwicker J.
- Williams S. L.
- Woodcock H. L.
- Wu X.
- Wu X.
- Yang A.
- Yoshikawa S.
- Zheng L.
- Zwanzig R. W.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study