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- Bringing Open Source to Drug Discovery
- Learning Avogadro - the Molecular Editor
- Mordred: a Molecular Descriptor Calculator Hirotomo Moriwaki1* , Yu‑Shi Tian1 , Norihito Kawashita2 and Tatsuya Takagi1
- 3Dstructgen: an Interactive Web-Based 3D Structure Generation
- Complex Reaction Processes in Combustion Unraveled by Neural
- Pdf/ (Accessed on 17 June 2010)
- Confbuster: Open-Source Tools for Macrocycle Conformational Search and Analysis Xavier Barbeau1, Antony T
- Pydescriptor: a New Pymol Plugin for Calculating Thousands of Easily Understandable Molecular Descriptors
- Exploring Molecular Conformational Space
- S.A. Raja Pharmacy College Vadakkangulam-627 116
- CT Vs Known Ligands
- Zincv: a Chemical Visualization and Molecular Construction System Ramkrishna Chakrabarty, Douglas H
- KNIME-CDK : Workflow-Driven Cheminformatics
- Guide for Using Rosetta When Designing Ligand Binding Sites
- Molecular Architect (Molar) Tutorial
- Open Data, Open Source and Open Standards in Chemistry: the Blue Obelisk five Years On
- Open Babel Documentation Release 2.3.1
- Proyecto Domingo Sanchez Blazquez
- F6612e1e3a611b9b7263725356
- Arxiv:1712.06640V1 [Physics.Comp-Ph] 18 Dec 2017 Keywords: Spglib, Electronic Structure Visualisation, Crystallographic Symmetry, Supercell Generation
- A Versatile Graphical Tool for Assisting Molecular Docking with Autodock Vina and Autodock4
- Journal of Molecular Graphics and Modelling 48 (2014) 80–86
- Moltemplate Manual
- Fast, Efficient Fragment-Based Coordinate Generation for Open
- Open Babel 2.3 C++ API Quick Reference Guide
- Luscus: Molecular Viewer and Editor for MOLCAS Goran Kovaceviˇ C´1* and Valera Veryazov2
- SANCDB: a South African Natural Compound Database
- Open Babel: an Open Chemical Toolbox Noel M O’Boyle1, Michael Banck2, Craig a James3, Chris Morley4, Tim Vandermeersch4 and Geoffrey R Hutchison5*
- Ibabel This Is an Applescript Studio Application That Provides a Front-End
- Mosdef, a Python Framework Enabling Large-Scale
- New Open Source Software for Building Molecular Dynamics Systems
- Arxiv:2003.02031V2 [Physics.Comp-Ph] 5 Mar 2020
- Computational Chemistry Laboratory
- The Blue Obelisksinteroperability in Chemical Informatics
- Open Source Workflow Engine for Cheminformatics: from Data Curation to Data Analysis
- 1 Moltemplate
- VIRTUAL SCREENING METABOLIT AKTIF SENYAWA ASAM DARI PACAR AIR(Impatiens Balsamina L.) TERHADAP RESEPTOR SULFONILUREA RENDRA
- Chemical Tools and Visualization Software for Computational Science
- Project-Team NANO-D
- Protein Structure Determination Using Chemical Shifts Arxiv:1405.3642V1 [Physics.Chem-Ph] 24 Apr 2014
- Multiscale Simulations of Complex Materials Basing on UNICORE
- Tutorial IV: Sampling Conformational Spaces Manuscript for Exercise Problems
- Avogadro: an Advanced Semantic Chemical Editor, Visualization, And
- Iupac Smiles+
- A Tool for Interrogation of Macromolecular Structure
- Pubchemqc PM6: a Dataset of 221 Million Molecules with Optimized
- Comparative Evaluation of Atom Mapping Algorithms for Balanced Metabolic Reactions: Application to Recon 3D German A