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CHARMM

swMATH ID: 5953
Software Authors: B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, M. Karplus
Description: CHARMM (Chemistry at HARvard Macromolecular Mechanics). CHARMM models the dynamics and mechanics of macromolecular systems using empirical and mixed empirical/quantum mechanical force fields. CHARMM is designed to investigate the structure and dynamics of large molecules. It performs free energy calculations of mutations and drug binding as well as conformational folding of peptides. It uses classical mechanical methods to investigate potential energy surfaces derived from experimental and ”ab initio” quantum chemical calculations. In addition, mixed quantum mechanical/classical systems can be defined to investigate chemical processes such as enzyme catalysis.
Homepage: http://www.charmm.org/
Related Software: NAMD; Gromacs; APBS; AMBER; VMD; MIBPB; GROMOS; tabipb; TABI; PDB2PQR; PBEQ-Solver; LAMMPS; NAMD2; DL_POLY; Python; SG; CUDA; I-TASSER; SCWRL4; CNS
Referenced in: 99 Publications
Further Publications: http://www.charmm.org/info/literature.html
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Referenced by 282 Authors

4 Stefanelli, Ulisse
4 Wei, Guowei
3 Alexov, Emil
3 Chen, Duan
3 Knepley, Matthew G.
3 Piovano, Paolo
3 Wu, Zhijun
3 Xie, Dexuan
2 Ambrosia, Matthew Stanley
2 Barba, Lorena A.
2 Bardhan, Jaydeep P.
2 Chen, Jiahui
2 Dowell, Earl H.
2 Friedrich, Manuel
2 Geng, Weihua
2 Holst, Michael J.
2 Kim, Deok-Soo
2 Lavor, Carlile Campos
2 Leimkuhler, Benedict J.
2 Li, Aiqin
2 Lu, Benzhuo
2 Mainini, Edoardo
2 Mesirov, Jill P.
2 Oden, John Tinsley
2 Perahia, David
2 Ryu, Joonghyun
2 Schulten, Klaus
2 Xia, Kelin
2 Xu, Zhenli
2 Zhenirovskyy, Maxim
1 Agrawal, Ravi P.
1 Aksoylu, Burak
1 Almeida, Fabio C. L.
1 Amaro, Rommie E.
1 Anh, Vo V.
1 Anile, Angelo Marcello
1 Attar, Peter J.
1 Bader, Brett W.
1 Bader, Joel S.
1 Bajaj, Chandrajit L.
1 Baraille, I.
1 Bardiaux, Benjamin
1 Barth, Eric
1 Bauman, Paul T.
1 Baumketner, Andrij
1 Beglov, Dmitrii
1 Bhandarkar, Milind
1 Board, John A. jun.
1 Bond, Stephen D.
1 Bordat, P.
1 Borštnik, Urban
1 Bramer, David
1 Braz, Antonio Sérgio Kimus
1 Brooks, Charles L.
1 Brower, Richard C.
1 Brunner, Robert J.
1 Buehler, Markus J.
1 Buti, Federico
1 Byrd, Richard H.
1 Cacciagrano, Diletta Romana
1 Cai, Wei
1 Cang, Zixuan
1 Carpenter, E. J.
1 Cazade, P.-A.
1 Cha, Jehyun
1 Cisneros-Ake, Luis A.
1 Cordier, Florence
1 Corradini, Flavio
1 Coveney, Peter V.
1 Crawford, Edward F.
1 Crivelli, Silvia
1 Crommelin, Daan T.
1 Cruz, Felipe A.
1 Cruzeiro, Leonor
1 Cutello, Vincenzo
1 Cyr, Eric C.
1 Czapla, Luke
1 Delhommel, Florent
1 DeLisi, Charles
1 Dixon, J. M.
1 Duong, Tap Ha
1 Eskow, Elizabeth
1 Espinosa, Horacio D.
1 Evans, Tom
1 Faghihi, Danial
1 Farrell, Kathryn
1 Fath, L.
1 Fenley, Marcia O.
1 Flook, Paul K.
1 Floudas, Christodoulos Achilleus
1 Gale, Julian D.
1 Gao, Huajian
1 Gdoutos, Eleftherios E.
1 Gervasi, Osvaldo
1 Gogolinska, Anna
1 Gomes Neto, Francisco A. M.
1 Grindon, Christina
1 Gunaratne, Ajith
1 Gursoy, Attila
1 Hamada, Tsuyoshi
...and 182 more Authors
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Referenced in 47 Serials

17 Journal of Computational Physics
5 Computer Physics Communications
5 Molecular Based Mathematical Biology
4 Journal of Global Optimization
3 Molecular Simulation
3 Bulletin of Mathematical Biology
3 Physica D
3 Communications in Computational Physics
2 Computers and Fluids
2 Computer Methods in Applied Mechanics and Engineering
2 International Journal for Numerical Methods in Engineering
2 Computational Mechanics
2 SIAM Journal on Scientific Computing
2 Computational Biology and Chemistry
2 International Journal of Numerical Analysis and Modeling
2 Acta Mechanica Sinica
2 Computational & Mathematical Methods in Medicine
2 Computational and Mathematical Biophysics
1 Archive for Rational Mechanics and Analysis
1 Computers & Mathematics with Applications
1 Journal of the Franklin Institute
1 Journal of Statistical Physics
1 Physica A
1 Applied Mathematics and Computation
1 BIT
1 Journal of Optimization Theory and Applications
1 Mathematical and Computer Modelling
1 Journal of Scientific Computing
1 The Journal of Supercomputing
1 SIAM Journal on Applied Mathematics
1 Mathematical Programming. Series A. Series B
1 Computational Optimization and Applications
1 Journal of Mathematical Chemistry
1 Nonlinear Dynamics
1 Chaos
1 Journal of the Royal Statistical Society. Series B. Statistical Methodology
1 Philosophical Transactions of the Royal Society of London. Series A. Mathematical, Physical and Engineering Sciences
1 RAIRO. Operations Research
1 Computational Methods in Applied Mathematics
1 Natural Computing
1 Multiscale Modeling & Simulation
1 Mathematical Biosciences and Engineering
1 The IMA Volumes in Mathematics and its Applications
1 Interdisciplinary Applied Mathematics
1 Journal of Theoretical Biology
1 Bollettino dell’Unione Matematica Italiana
1 Graduate Texts in Physics

Referencing Publications by Year