Results 71 to 80 of about 4,185,495 (377)
Docking Challenge: Protein Sampling and Molecular Docking Performance [PDF]
Journal of Chemical Information and Modeling, 2013 Computational tools are essential in the drug design process, especially in order to take advantage of the increasing numbers of solved X-ray and NMR protein-ligand structures. Nowadays, molecular docking methods are routinely used for prediction of protein-ligand interactions and to aid in selecting potent molecules as a part of virtual screening of ...
Khaled M. Elokely, Robert J. Doerksen
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A Study of Archiving Strategies in Multi-Objective PSO for Molecular Docking [PDF]
, 2016 Molecular docking is a complex optimization problem aimed at predicting the position of a ligand molecule in the active site of a receptor with the lowest binding energy. This problem can be formulated as a bi-objective optimization problem by minimizing
A Sandoval-Perez +15 more
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Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 2 December 2021
Journal of Molecular Docking, 2021 Assalamu’alaikum Wr. Wb. Alhamdulillahirabbil ‘alamin. After a long wait for almost one year from the first planned, the new scientific journal of the Department of Pharmacy Universitas Muhammadiyah Palangkaraya can be published. This scientifc journal
Chief Editor of J Mol Docking
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Searching for New Leads to Treat Epilepsy: Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents [PDF]
, 2018 The purpose of this investigation is to contribute to the development of new anticonvulsant drugs to treat patients with refractory epilepsy. We applied a virtual screening protocol that involved the search into molecular databases of new compounds and ...
Bruno Blanch, Luis Enrique +8 more
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Synthesis, In Silico Studies, Antiprotozoal and Cytotoxic Activities of Quinoline‐Biphenyl Hybrids [PDF]
, 2020 This is the pre-peer reviewed version of the following article: Synthesis, In Silico Studies, Antiprotozoal and Cytotoxic Activities of Quinoline‐Biphenyl Hybrids, which has been published in final form at https://doi.org/10.1002/slct.201903835.
Carda, Miguel +6 more
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Drug Design, Development and Therapy, 2020 Dana H, Mahmoodi Chalbatani G, Gharagouzloo E, et al.Drug Des Devel Ther. 2020;14:309–329.On page 309, Correspondence, the name of author was not updated by the Editorial staff when the author’s name was corrected in the author list during ...
Dana H +8 more
doaj
On the Integration of Pharmacophore Model and Molecular Docking Method
Journal of Algorithms & Computational Technology, 2011 Structure-based molecular docking has been recognized as the most effective virtual screening technology. Two aspects decide the accuracy of virtual screening result: one is the simulation degree to the interaction of ligands and acceptors, the other is ...
G. Dong, X.J. Deng, J.H. Xiao
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Journal of Molecular Docking, 2022 Resistance against anti-tubercular drugs is a significant problem. This elucidates the need for novel drug targets. Altering and targeting the enzymes involved in cell wall synthesis led to fatal damage to the bacterial cell. Mycolic acids are critically
Rishabh Gaur, Praveen Kumar Anand
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Drug Design, Development and Therapy, 2020 Hassan Dana, 1, 2,* Ghanbar Mahmoodi Chalbatani, 1,* Elahe Gharagouzloo, 1 Seyed Rouhollah Miri, 1 Fereidoon Memari, 1 Reza Rasoolzadeh, 3 Mohammad Reza Zinatizadeh, 3 Peyman Kheirandish Zarandi, 3 Vahid Marmari 2 1Cancer Research Center, Cancer ...
Dana H +8 more
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Alantolactone: A Potential Multitarget Drug candidate for Prevention of SARS-CoV-2 Cell Entry
Journal of Molecular Docking, 2022 The novel strain of coronavirus, SARS-CoV-2, has spread adverse effects on human health with high mortality rates worldwide. SARS-CoV-2 is a severe respiratory disease expressed through positive single stranded RNA enveloped virus.
Erum Zafar +8 more
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