Výpis publikací

MISHRA, Sushil Kumar a Jaroslav KOČA. Assessing the Performance of MM/PBSA, MM/GBSA, and QM-MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions. Journal of Physical Chemistry B. WASHINGTON: AMER CHEMICAL SOC, 2018, roč. 122, č. 34, s. 8113-8121. ISSN 1520-6106. Dostupné z: https://dx.doi.org/10.1021/acs.jpcb.8b03655.

PHULWALE, Bhimrao Vaijnath, Sushil Kumar MISHRA a Ctibor MAZAL. Synthesis and properties of pi-conjugated donor-acceptor macrocycles derived from phenanthrylene building blocks. Tetrahedron. Oxford: ERGAMON-ELSEVIER SCIENCE LTD, 2018, roč. 74, č. 27, s. 3616-3623. ISSN 0040-4020. Dostupné z: https://dx.doi.org/10.1016/j.tet.2018.05.025.

HOUSER, Josef, Stanislav KOZMON, Deepti MISHRA, Sushil Kumar MISHRA, Patrick R ROMANO, Michaela WIMMEROVÁ a Jaroslav KOČA. Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. Plos one. San Francisco: Public Library of Science, 2017, roč. 12, č. 12, s. 0189375-189391. ISSN 1932-6203. Dostupné z: https://dx.doi.org/10.1371/journal.pone.0189375.

PHULWALE, Bhimrao Vaijnath, Sushil Kumar MISHRA, Marek NEČAS a Ctibor MAZAL. Phenanthrylene-butadiynylene and Phenanthrylene-thienylene Macrocycles: Synthesis, Structure, and Properties. Journal of Organic Chemistry. WASHINGTON: AMER CHEMICAL SOC, 2016, roč. 81, č. 15, s. 6244-6252. ISSN 0022-3263. Dostupné z: https://dx.doi.org/10.1021/acs.joc.6b00814.

MISHRA, Sushil Kumar, Gaetano CALABRO, Hannes H. LOEFFLER, Julien MICHEL a Jaroslav KOČA. Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate Complexes. Journal of Chemical Theory and Computation. Washington D.C.: American Chemical Society, 2015, roč. 11, č. 7, s. 3333-3345. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/acs.jctc.5b00159.

MISHRA, Sushil Kumar, Mahmut KARA, Martin ZACHARIAS a Jaroslav KOČA. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation. Glycobiology. United Kingdom: Oxford University Press, 2014, roč. 24, č. 1, s. 70-84. ISSN 0959-6658. Dostupné z: https://dx.doi.org/10.1093/glycob/cwt093.

MISHRA, Sushil Kumar, Lenka ADAMOVÁ, Jan ADAM, Michaela WIMMEROVÁ a Jaroslav KOČA. Comparison of docking software to predict sacharide binding - combination with in silico protein engineering. In The joint ASMB/SFG 2012 Meeting. 2012.

MISHRA, Sushil Kumar, Johan SUND, Johan AQVIST a Jaroslav KOČA. Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy models. Journal of Computational Chemistry. Hoboken, USA: WILEY-BLACKWELL, 2012, roč. 33, č. 29, s. 2340-2350. ISSN 0192-8651. Dostupné z: https://dx.doi.org/10.1002/jcc.23081.

MISHRA, Sushil Kumar a Jaroslav KOČA. Free energy calculation in lectin/saccharide complexes. In International Symposium On Recent Trends in Bioinformatics, Systems Biology and Biomolecular Interactions. 2012.

MISHRA, Sushil Kumar, Gabriel DEMO, Jaroslav KOČA a Michaela WIMMEROVÁ. In Silico Engineering of Proteins that Recognize Small Molecules. In Prof. Pravin Kaumaya. Protein Engineering. Neuveden: InTech - Open Access Publisher, 2012, s. 307-344. ISBN 978-953-51-0037-9.

MISHRA, Sushil Kumar, Jan ADAM, Michaela WIMMEROVÁ a Jaroslav KOČA. In Silico Mutagenesis and Docking Study of Ralstonia solanacearum RSL Lectin: Performance of Docking Software To Predict Saccharide Binding. Journal of Chemical Information and Modeling. WASHINGTON: AMER CHEMICAL SOC, 2012, roč. 52, č. 5, s. 1250-1261. ISSN 1549-9596. Dostupné z: https://dx.doi.org/10.1021/ci200529n.

WIMMEROVÁ, Michaela, Stanislav KOZMON, Ivona NEČASOVÁ, Sushil Kumar MISHRA, Jan KOMÁREK a Jaroslav KOČA. Stacking Interactions between Carbohydrate and Protein Quantified by Combination of Theoretical and Experimental Methods. Plos One. SAN FRANCISCO: PUBLIC LIBRARY SCIENCE, 2012, roč. 7, č. 10, s. "nestránkováno", 9 s. ISSN 1932-6203. Dostupné z: https://dx.doi.org/10.1371/journal.pone.0046032.

RYŠKA, Jan, Sushil Kumar MISHRA, Radka SVOBODOVÁ VAŘEKOVÁ a Jaroslav KOČA. Docking study of matrix metalloproteinase inhibitors. In 9th Discussions in Structural Molecular Biology, Nové Hrady, Czech Republic. 2011.

MISHRA, Sushil Kumar, Johan SUND, Johan AQVIST a Jaroslav KOČA. Fast and Accurate calculation of Lectin/Saccharide Binding Free Energy. In Innovative Approaches to Computational Drug Discovery, October 3-6, 2011, CECAM-HQ-EPFL, Lausanne, Switzerland. 2011.

MISHRA, Sushil Kumar, Jan ALÁN, Petr KULHÁNEK a Jaroslav KOČA. How to calculate binding energy in Protein-Carbohydrate complexes. In 5th THEORETICAL BIOPHYSICS INTERNATIONAL SYMPOSIUM, Madeira (Portugal), 8 - 12 June 2011. 2011.

MISHRA, Sushil Kumar, Jan ADAM, Michaela WIMMEROVÁ, Ruben A. ABAGYAN a Jaroslav KOČA. In silico mutagenesis and docking study of RSL lectin. In Material Structure in Chemistry, Biology, Physics and Technology vol. 17, no 1a, 2010, page-b45. 2010.

MISHRA, Sushil Kumar, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ a Jaroslav KOČA. Nature of lectin carbohydrate interactions and how to treat them by computational chemistry tools. In Glycoconjugate Journal, "20th International Symposium on Glycoconjugates Glycans: From Molecules to Structures to Therapeutics, San Juan, Puerto Rico. Netherlands: Springer, 2009, s. 875-876, 1 s. ISSN 0282-0080.