Works matching Quantum mechanics/molecular mechanics
1
- Chemistry - A European Journal, 2019, v. 25, n. 3, p. 764, doi. 10.1002/chem.201805250
- Limb, Michael A. L.;
- Suardíaz, Reynier;
- Grant, Ian M.;
- Mulholland, Adrian J.
- Article
2
- WIREs: Computational Molecular Science, 2016, v. 6, n. 4, p. 369, doi. 10.1002/wcms.1255
- Zheng, Min;
- Waller, Mark P.
- Article
3
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 4, p. 327, doi. 10.1007/s00214-004-0592-1
- Soriano, Alejandro;
- Silla, Estanislao;
- Tuñón, Iñaki;
- Marti, Sergio;
- Moliner, Vicent;
- Bertrán, Juan
- Article
4
- Current Science (00113891), 2017, v. 112, n. 7, p. 1455, doi. 10.18520/cs/v112/i07/1455-1462
- Article
5
- Chemistry - A European Journal, 2020, v. 26, n. 9, p. 1891, doi. 10.1002/chem.201905164
- Arafet, Kemel;
- González, Florenci V.;
- Moliner, Vicent
- Article
6
- Chemistry - A European Journal, 2020, v. 26, n. 9, p. 2002, doi. 10.1002/chem.201904513
- Arafet, Kemel;
- González, Florenci V.;
- Moliner, Vicent
- Article
7
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 3, p. 247, doi. 10.1007/s10822-012-9630-6
- Zhu, Kongkai;
- Lu, Junyan;
- Liang, Zhongjie;
- Kong, Xiangqian;
- Ye, Fei;
- Jin, Lu;
- Geng, Heji;
- Chen, Yong;
- Zheng, Mingyue;
- Jiang, Hualiang;
- Li, Jun-Qian;
- Luo, Cheng
- Article
8
- Brain Sciences (2076-3425), 2022, v. 12, n. 7, p. N.PAG, doi. 10.3390/brainsci12070871
- López-Rivera, Juan Javier;
- Rodríguez-Salazar, Luna;
- Soto-Ospina, Alejandro;
- Estrada-Serrato, Carlos;
- Serrano, David;
- Chaparro-Solano, Henry Mauricio;
- Londoño, Olga;
- Rueda, Paula A.;
- Ardila, Geraldine;
- Villegas-Lanau, Andrés;
- Godoy-Corredor, Marcela;
- Cuartas, Mauricio;
- Vélez, Jorge I.;
- Vidal, Oscar M.;
- Isaza-Ruget, Mario A.;
- Arcos-Burgos, Mauricio
- Article
9
- International Journal of Molecular Sciences, 2018, v. 19, n. 7, p. 1974, doi. 10.3390/ijms19071974
- Luis, Josep M.;
- Solà, Miquel;
- Postils, Verònica;
- Saint-André, Maud;
- Timmins, Amy;
- de Visser, Sam P.;
- Li, Xiao-Xi;
- Wang, Yong
- Article
10
- International Journal of Molecular Sciences, 2012, v. 13, n. 10, p. 12994, doi. 10.3390/ijms131012994
- Ion, Bogdan F.;
- Bushnell, Eric A. C.;
- De Luna, Phil;
- Gauld, James W.
- Article
11
- Angewandte Chemie, 2014, v. 126, n. 33, p. 8793, doi. 10.1002/ange.201405303
- Zhang, Qiangqiang;
- Chen, Xuebo;
- Cui, Ganglong;
- Fang, Wei ‐ Hai;
- Thiel, Walter
- Article
12
- Quantitative Biology, 2024, v. 12, n. 4, p. 414, doi. 10.1002/qub2.61
- Somin, Sarawoot;
- Kulasiri, Don;
- Samarasinghe, Sandhya
- Article
13
- International Reviews in Physical Chemistry, 2010, v. 29, n. 1, p. 65, doi. 10.1080/01442350903495417
- Ranaghan, Kara E.;
- Mulholland, Adrian J.
- Article
14
- Computation, 2024, v. 12, n. 12, p. 238, doi. 10.3390/computation12120238
- Ando, Tadashi;
- Tamura, Koji
- Article
15
- Angewandte Chemie International Edition, 2014, v. 53, n. 33, p. 8649, doi. 10.1002/anie.201405303
- Zhang, Qiangqiang;
- Chen, Xuebo;
- Cui, Ganglong;
- Fang, Wei‐Hai;
- Thiel, Walter
- Article
16
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 5, p. 1, doi. 10.1007/s00214-012-1214-y
- Damasceno, Marcus;
- Costa Cabral, Benedito;
- Coutinho, Kaline
- Article
17
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 109, n. 3, p. 160, doi. 10.1007/s00214-002-0424-0
- Hurley, M.M.;
- Wright, J.B.;
- Lushington, G.H.;
- White, W.E.
- Article
18
- Molecules, 2018, v. 23, n. 11, p. 2932, doi. 10.3390/molecules23112932
- De Vetta, Martina;
- Baig, Omar;
- Steen, Dorika;
- Nogueira, Juan J.;
- González, Leticia;
- Lin, Hai;
- Truhlar, Donald G.
- Article
19
- Polymer Composites, 2015, v. 36, n. 8, p. 1454, doi. 10.1002/pc.23051
- Hu, Kun;
- Zhuang, Qixin;
- Liu, Xiaoyun;
- Han, Zhewen
- Article
20
- Chemistry - A European Journal, 2018, v. 24, n. 42, p. 10820, doi. 10.1002/chem.201801709
- Narzi, Daniele;
- Capone, Matteo;
- Bovi, Daniele;
- Guidoni, Leonardo
- Article
21
- Chemistry - A European Journal, 2017, v. 23, n. 68, p. 17231, doi. 10.1002/chem.201704057
- Ferreira, Pedro;
- Sousa, Sérgio F.;
- Fernandes, Pedro A.;
- Ramos, Maria João
- Article
22
- Chemistry - A European Journal, 2016, v. 22, n. 27, p. 9218, doi. 10.1002/chem.201600305
- Moreira, Cátia;
- Ramos, Maria J.;
- Fernandes, Pedro Alexandrino
- Article
23
- Chemistry - A European Journal, 2016, v. 22, n. 8, p. 2562, doi. 10.1002/chem.201503802
- Quesne, Matthew G.;
- Borowski, Tomasz;
- de Visser, Sam P.
- Article
24
- Chemistry - A European Journal, 2014, v. 20, n. 36, p. 11390, doi. 10.1002/chem.201402759
- Pang, Jiayun;
- Scrutton, Nigel S.;
- Sutcliffe, Michael J.
- Article
25
- Chemistry - A European Journal, 2014, v. 20, n. 6, p. 1602, doi. 10.1002/chem.201302443
- Riplinger, Christoph;
- Bill, Eckhard;
- Daiber, Andreas;
- Ullrich, Volker;
- Shoun, Hirofumi;
- Neese, Frank
- Article
26
- Chemistry - A European Journal, 2014, v. 20, n. 2, p. 612, doi. 10.1002/chem.201490003
- Quesne, Matthew G.;
- Latifi, Reza;
- Gonzalez‐Ovalle, Luis E.;
- Kumar, Devesh;
- de Visser, Sam P.
- Article
27
- Chemistry - A European Journal, 2014, v. 20, n. 2, p. 435, doi. 10.1002/chem.201303282
- Quesne, Matthew G.;
- Latifi, Reza;
- Gonzalez‐Ovalle, Luis E.;
- Kumar, Devesh;
- de Visser, Sam P.
- Article
28
- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1562
- Sen, Saumik;
- Kar, Rajiv K.;
- Borin, Veniamin A.;
- Schapiro, Igor
- Article
29
- WIREs: Computational Molecular Science, 2021, v. 11, n. 4, p. 1, doi. 10.1002/wcms.1515
- Nochebuena, Jorge;
- Naseem‐Khan, Sehr;
- Cisneros, G. Andrés
- Article
30
- WIREs: Computational Molecular Science, 2017, v. 7, n. 2, p. n/a, doi. 10.1002/wcms.1281
- Sousa, Sérgio Filipe;
- Ribeiro, António J. M.;
- Neves, Rui P. P.;
- Brás, Natércia F.;
- Cerqueira, Nuno M. F. S. A.;
- Fernandes, Pedro A.;
- Ramos, Maria João
- Article
31
- Acta Chimica Slovenica, 2020, v. 67, n. 3, p. 876, doi. 10.17344/acsi.2020.5847
- Article
32
- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 11, p. 1077, doi. 10.1007/s10822-014-9786-3
- Pérez-Gallegos, Ayax;
- Garcia-Viloca, Mireia;
- González-Lafont, Àngels;
- Lluch, José
- Article
33
- Bulletin of the Chemical Society of Ethiopia, 2022, v. 36, n. 2, p. 479, doi. 10.4314/bcse.v36i2.19
- Mahani, Nosrat Madadi;
- Mohammadi, Sayed Zia
- Article
34
- Angewandte Chemie, 2014, v. 126, n. 2, p. 360, doi. 10.1002/ange.201480213
- Article
35
- eLife, 2015, p. 1, doi. 10.7554/eLife.06421
- Talapatra, Sandeep K.;
- Harker, Bethany;
- Welburn, Julie P. I.
- Article
36
- Molecular Informatics, 2018, v. 37, n. 1/2, p. 1, doi. 10.1002/minf.201700133
- Jørgensen, Peter B.;
- Schmidt, Mikkel N.;
- Winther, Ole
- Article
37
- International Journal of Quantum Chemistry, 2024, v. 124, n. 19, p. 1, doi. 10.1002/qua.27491
- Wang, Yue;
- Liu, Cui;
- Gong, Lidong;
- Yang, Zhongzhi
- Article
38
- International Journal of Quantum Chemistry, 2014, v. 114, n. 15, p. 1006, doi. 10.1002/qua.24597
- Article
39
- Journal of Computational Chemistry, 2013, v. 34, n. 10, p. 862, doi. 10.1002/jcc.23209
- Article
40
- Journal of Computational Chemistry, 2013, v. 34, n. 10, p. 854, doi. 10.1002/jcc.23210
- Article
41
- Chemistry - A European Journal, 2007, v. 13, n. 27, p. 7715, doi. 10.1002/chem.200700040
- Alves, Cláudio N.;
- Martí, Sergio;
- Castillo, Raquel;
- Andrés, Juan;
- Moliner, Vicent;
- Tuñón, Iñaki;
- Silla, Estanislao
- Article
42
- BioMed Research International, 2014, v. 2014, p. 1, doi. 10.1155/2014/808071
- Samsonov, Sergey A.;
- Theisgen, Stephan;
- Riemer, Thomas;
- Huster, Daniel;
- Teresa Pisabarro, M.
- Article
43
- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 9, p. 4154, doi. 10.1080/07391102.2022.2064912
- Baammi, Soukayna;
- Daoud, Rachid;
- El Allali, Achraf
- Article
44
- Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 18, p. 5307, doi. 10.1080/07391102.2019.1699446
- Govindasamy, Hunday;
- Magudeeswaran, Sivanandam;
- Poomani, Kumaradhas
- Article
45
- Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 1, p. 219, doi. 10.1080/07391102.2019.1574605
- Chinnasamy, Kalaiarasi;
- Saravanan, Manjula;
- Poomani, Kumaradhas
- Article
46
- Journal of Statistical Physics, 2014, v. 154, n. 1/2, p. 623, doi. 10.1007/s10955-013-0814-9
- Bedingham, Daniel;
- Dürr, Detlef;
- Ghirardi, GianCarlo;
- Goldstein, Sheldon;
- Tumulka, Roderich;
- Zanghì, Nino
- Article
47
- Proteins, 2007, v. 66, n. 2, p. 444, doi. 10.1002/prot.21190
- Oliva, Carolina;
- Rodríguez, Alejandro;
- González, Miguel;
- Yang, Wei
- Article
48
- ChemPhysChem, 2019, v. 20, n. 9, p. 1126, doi. 10.1002/cphc.201900173
- Ibeji, Collins U.;
- Lawal, Monsurat M.;
- Tolufashe, Gideon F.;
- Govender, Thavendran;
- Naicker, Tricia;
- Maguire, Glenn E. M.;
- Lamichhane, Gyanu;
- Kruger, Hendrik G.;
- Honarparvar, Bahareh
- Article
49
- ChemPhysChem, 2011, v. 12, n. 17, p. 3192, doi. 10.1002/cphc.201100523
- Riplinger, Christoph;
- Neese, Frank
- Article
50
- Angewandte Chemie, 2017, v. 129, n. 32, p. 9469, doi. 10.1002/ange.201703487
- Chang, Xue ‐ Ping;
- Gao, Yuan ‐ Jun;
- Fang, Wei ‐ Hai;
- Cui, Ganglong;
- Thiel, Walter
- Article