Search Result "forcefields"
The Fundamentals of Molecular Simulations
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Molecular Dynamics Simulations of Glycyrrhizic Acid Aggregates as Drug-Carriers for Paclitaxel
Journal: Current Drug Delivery
Volume: 16 Issue: 7 Year: 2019 Page: 618-627
Author(s): Mumtaz Hussain
Identifying Native and Non-native Membrane Protein Loops by Using Stabilizing Energetic Terms of Three Popular Force Fields
Journal: Current Chinese Science
Volume: 1 Issue: 1 Year: 2021 Page: 14-21
Author(s): Konda Mani Saravanan,Haiping Zhang,Yanjie Wei
Molecular Docking Studies of Bioactive Nicotiflorin against 6W63 Novel Coronavirus 2019 (COVID-19)
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 6 Year: 2021 Page: 874-878
Author(s): Raghvendra Dubey,Kushagra Dubey
Potential Aromatase Inhibitors from Centella asiatica with Non-synonymousSNPS - A Computational Approach
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 4 Year: 2024 Page: 341-358
Author(s): Sheshadri S Temkar,Dhrithi Jayasimha Mallur,Deepak Ishwara Shivaprakash,Benedict Paul C
Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19
Journal: Current Pharmaceutical Design
Volume: 27 Issue: 33 Year: 2021 Page: 3577-3589
Author(s): Md. Tabish Rehman,Mohamed F. AlAjmi,Afzal Hussain
Multiscale Molecular Dynamics of Protein Aggregation
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa
Computational Investigation of Endophytic Fungal (Penicillium citrinumCGJ-C2) Compound and Its In-silico Derivatives for the Inhibition ofRNA-Dependent RNA Polymerase of SARS-CoV-2
Journal: Coronaviruses
Volume: 4 Issue: 4 Year: 2023 Page: 68-78
Author(s): Chandrasekhar G Joshi,Ajay S Khandagale
Fragment-Based Methods for Lead Discovery
Ebook: In Silico Lead Discovery
Volume: 1 Year: 2011
Author(s): Will R. Pitt,Alicia P. Higueruelo,Nikolay P. Todorov
Doi: 10.2174/978160805142711101010060
Effect of Withaferin-A, Withanone, and Caffeic Acid Phenethyl Ester onDNA Methyltransferases: Potential in Epigenetic Cancer Therapy
Journal: Current Topics in Medicinal Chemistry
Volume: 24 Issue: 4 Year: 2024 Page: 379-391
Author(s): Anissa Nofita Sari,Jaspreet Kaur Dhanjal,Sunil C. Kaul