Search Result "particle mesh Ewald method"
Optimization Methods for Virtual Screening on Novel Computational Architectures
Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 1 Year: 2011 Page: 44-52
Author(s): Horacio Perez-Sanchez, Wolfgang Wenzel
Conformational Changes of the Protein Domains Upon Binding with Carbon Nanotubes Studied by Molecular Dynamics Simulations
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 12-22
Author(s): Guanghong Zuo, Peng Xiu, Xin Zhou, Ruhong Zhou, Haiping Fang
Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2617-2625
Author(s): Gerard MartÃnez-Rosell,Toni Giorgino,Matt J. Harvey,Gianni de Fabritiis
Modeling Molecular Study between SDO1/Inhibitors: Search of NewTreatments for Amyotrophic Lateral Sclerosis
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 10 Year: 2024 Page: 1707-1715
Author(s): Daiana Teixeira Mancini,Isabela Aparecida Militani,Alexandre Alves de Castro,LetÃcia Cristina Assis
Profiling the Structural Determinants of Heteroarylnitrile Scaffold-Based Derivatives as Falcipain-2 Inhibitors by In Silico Methods
Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 2032-2042
Author(s): Jinghui Wang, Yan Li, Yinfeng Yang, Shuwei Zhang, Ling Yang
Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases
Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1173-1185
Author(s): Michael J. Schnieders, Tamer S. Kaoud, Chunli Yan, Kevin N. Dalby, Pengyu Ren
Molecular Simulation and Activity Studies of Oxametacin as an HDAC Inhibitor
Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1277-1282
Author(s): Fanbo Jing,Lei Zhang,Yepeng Luan,Jiang Bian
Discovery of a Potential Allosteric Site in the SARS-CoV-2 Spike Proteinand Targeting Allosteric Inhibitor to Stabilize the RBD Down State using aComputational Approach
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 784-797
Author(s):
Generalized-Ensemble Algorithms for Protein Folding and Unfolding
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 92-106
Author(s): Yuko Okamoto
Ibalizumab-Human CD4 Receptor Interaction: Computational Alanine Scanning Molecular Dynamics Studies
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 217-225
Author(s): Zhi-Yuan Su