Results 61 to 70 of about 176,064 (165)

In Silico Approaches for Rational Drug Design and Potential Enzyme Inhibitors Discovery: A Mini-Review [PDF]

Journal of Advanced Biomedical Sciences
The field of drug design has undergone remarkable advancements with the advent of in silico methods, which utilize computational approaches that accelerate the discovery and development of novel therapeutics.
Morteza Sadeghi, Mehran Miroliaei, Mustafa Ghanadian   +2 more
doaj  

Molecular dynamics simulation of zirconia melting

Open Physics, 2010
Davis Sergio, Belonoshko Anatoly, Rosengren Anders, Duin Adri, Johansson Börje   +4 more
doaj   +1 more source

MDCompress: better, faster compression of molecular dynamics simulation trajectories. [PDF]

Bioinformatics
Kokot M, Roy A, Wheeler TJ, Deorowicz S.
europepmc   +1 more source

A Network Pharmacology and Molecular Dynamics Simulation-Based Study of Qing Run Hua Jie Decoction in Interstitial Pneumonia Treatment

Infection and Drug Resistance
Chunxiang Li,1,* Yingbin Lian,1,* Yaoshen Lin,1 Zhihua Li2 1Department of Integrative Medicine Oncology, The Second Affiliated Hospital of Fujian Medical University, Quanzhou, Fujian, 362000, People’s Republic of China; 2Department of Oncology ...
Li C, Lian Y, Lin Y, Li Z
doaj  

Atomistic insight into Al-Mg friction stir welding process via molecular dynamics simulation. [PDF]

PLoS One
Nguyen VT, Hoang VH, Nguyen TT, Thien TN, Vo XT, Nguyen VTT.   +5 more
europepmc   +1 more source

Revealing GRK5 Activation Features by Interpretable Machine Learning and Molecular Dynamics Simulation. [PDF]

Int J Mol Sci
Song Y, Kong M, Zhang F, Pu X.
europepmc   +1 more source

Molecular dynamics simulation of thermal activation of human TRPV1. [PDF]

Mol Biol Res Commun
Bermudes-Contreras JD, Arratia-Cortés LM, Ramírez-Moreno ME, Zamora-López B, López-Camarillo C, Marchat LA, Zamorano-Carrillo A.   +6 more
europepmc   +1 more source

Molecular Dynamics Simulation of Surface Properties in Styrene-Based Unsaturated Cardanol Sulfonate Surfactants. [PDF]

ACS Omega
Liu W, Lu C, Xia M, Zhao X, Zhang Z, Huang R, Xiao FL, Ding W.   +7 more
europepmc   +1 more source

Homology Modeling and Molecular Dynamics Simulation Studies of a Marine Alkaline Protease

Bioinformatics and Biology Insights, 2012
Xiaofeng Ji, Wei Wang, Yuan Zheng, Jianhua Hao, Mi Sun   +4 more
doaj  

Mitragynine and Morphine Stabilize Different Conformations of the μ‑Opioid Receptor as Revealed by Molecular Dynamics Simulation Studies. [PDF]

ACS Omega
Neupane NP, Mathews JT, Lingaraju S, You Y, Mathukumalli K, Das J.   +5 more
europepmc   +1 more source