Search Result "GROMOS"
Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis
Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 1386-1392
Author(s): R. Rajasekaran, Rao Sethumadhavan
Development of an Information System of Structures and Force Field Parameters of Chemical Compounds from Sri Lankan Flora
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 8 Year: 2018 Page: 550-556
Author(s): Samith Rathnayake,Samantha Weerasinghe
Three-dimensional Quantitative Structure-activity Relationship (3DQSAR) and Molecular Docking Study of 2-((pyridin-3-yloxy)methyl) Piperazines as α7 Nicotinic Acetylcholine Receptor Modulators for the Treatment of Inflammatory Disorders
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 11 Year: 2020 Page: 1031-1041
Author(s): Deepika Purohit,Vandana Saini,Sanjiv Kumar,Ajit Kumar,Balasubramanian Narasimhan
Computer Simulations of Biomolecules in Non-Aqueous and Semi-Aqueous Solvent Conditions
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Danilo Roccatano
Doi: 10.2174/9781608054879113010012
Computer Simulations Study of Biomolecules in Non-Aqueous or Cosolvent/Water Mixture Solutions
Journal: Current Protein & Peptide Science
Volume: 9 Issue: 4 Year: 2008 Page: 407-426
Author(s): Danilo Roccatano
The Conformational Free Energy of Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 256-262
Author(s): Michelle M. Kuttel
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
Molecular Mechanics
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3281-3292
Author(s): Kenno Vanommeslaeghe,Olgun Guvench,Alexander D. MacKerell Jr.
Role of the Region 23-28 in Aβ Fibril Formation: Insights from Simulations of the Monomers and Dimers of Alzheimers Peptides Aβ40 and Aβ42
Journal: Current Alzheimer Research
Volume: 5 Issue: 3 Year: 2008 Page: 244-250
Author(s): Adrien Melquiond, Xiao Dong, Normand Mousseau, Philippe Derreumaux
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