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Molecular dynamics

Stability Mechanisms of a Thermophilic Laccase Probed by Molecular Dynamics

Niels J. Christensen, Kasper P. Kepp

Role of Active Site Rigidity in Activity: MD Simulation and Fluorescence Study on a Lipase Mutant

Md. Zahid Kamal, Tabrez Anwar Shamim Mohammad, G. Krishnamoorthy, Nalam Madhusudhana Rao

Comparative Analysis of Species-Specific Ligand Recognition in Toll-Like Receptor 8 Signaling: A Hypothesis

Rajiv Gandhi Govindaraj, Balachandran Manavalan, Shaherin Basith, Sangdun Choi

Computational Screening and Molecular Dynamic Simulation of Breast Cancer Associated Deleterious Non-Synonymous Single Nucleotide Polymorphisms in TP53 Gene

Kumaraswamy Naidu Chitrala, Suneetha Yeguvapalli

In Silico Investigation of Potential Src Kinase Ligands from Traditional Chinese Medicine

Weng Ieong Tou, Calvin Yu-Chian Chen

Cannabidiol binding and negative allosteric modulation at the cannabinoid type 1 receptor in the presence of delta-9-tetrahydrocannabinol: An In Silico study

Hery Chung, Angélica Fierro, C. David Pessoa-Mahana

New Binding Site Conformations of the Dengue Virus NS3 Protease Accessed by Molecular Dynamics Simulation

Hugo de Almeida, Izabela M. D. Bastos, [ ... ], Jaime M. Santana

Organization of Lipids in the Tear Film: A Molecular-Level View

Alicja Wizert, D. Robert Iskander, Lukasz Cwiklik

Atomistic Study of Lipid Membranes Containing Chloroform: Looking for a Lipid-Mediated Mechanism of Anesthesia

Ramon Reigada

Insights from Modeling the 3D Structure of New Delhi Metallo-β-Lactamse and Its Binding Interactions with Antibiotic Drugs

Jing-Fang Wang, Kuo-Chen Chou

Strength of Hydrogen Bond Network Takes Crucial Roles in the Dissociation Process of Inhibitors from the HIV-1 Protease Binding Pocket

Dechang Li, Baohua Ji, Keh-Chih Hwang, Yonggang Huang

Molecular Dynamics Simulation of Ligand Dissociation from Liver Fatty Acid Binding Protein

Dong Long, Yuguang Mu, Daiwen Yang

Molecular modeling, dynamics simulations, and binding efficiency of berberine derivatives: A new group of RAF inhibitors for cancer treatment

Parham Jabbarzadeh Kaboli, Patimah Ismail, King-Hwa Ling

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