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searching for Protein–ligand docking 21 found (28 total)

Docking@Home (207 words) [view diff] exact match in snippet view article find links to article

platform. It models protein-ligand docking using the CHARMM program. Volunteer computing allows an extensive search of protein-ligand docking conformations

Virtual screening (4,015 words) [view diff] exact match in snippet view article find links to article

PJ, Wong MH (2014-01-24). "istar: a web platform for large-scale protein-ligand docking". PLOS ONE. 9 (1): e85678. Bibcode:2014PLoSO...985678L. doi:10.1371/journal

Lead Finder (879 words) [view diff] no match in snippet view article find links to article

Stroganov O (2008). "Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening". J. Chem. Inf

Scigress (238 words) [view diff] exact match in snippet view article find links to article

adsorption, absorption, and thermal conductivity. Protein handling and protein-ligand docking. Molecular design software Comparison of software for molecular

List of bioinformatics software (174 words) [view diff] exact match in snippet view article find links to article

Structural biology software List of molecular graphics systems List of protein-ligand docking software List of RNA structure prediction software List of software

Docking (molecular) (3,935 words) [view diff] no match in snippet view article

used to design more potent and selective analogs. bioremediation – protein ligand docking can also be used to predict pollutants that can be degraded by enzymes

David B. Fogel (1,456 words) [view diff] exact match in snippet view article find links to article

consultant for Agouron Pharmaceuticals' AGDOCK (formerly EPDOCK) protein-ligand docking software (1993-1998), was principal investigator on evolutionary

LeDock (757 words) [view diff] exact match in snippet view article find links to article

design List of software for molecular mechanics modeling List of protein-ligand docking software Molecular design software Lead Finder Virtual screening

N. Gautham (786 words) [view diff] exact match in snippet view article find links to article

Mathematics by the Indian Institute of Science.[citation needed] List of protein-ligand docking software India portal Biology portal PhD Thesis record guided by

David Goodsell (1,075 words) [view diff] exact match in snippet view article find links to article

Filipe; Fernandes, Pedro Alexandrino; Ramos, Maria João (2006). "Protein–ligand docking: Current status and future challenges". Proteins: Structure, Function

Scoring functions for docking (2,547 words) [view diff] exact match in snippet view article find links to article

molecular docking. Jain AN (October 2006). "Scoring functions for protein-ligand docking". Current Protein & Peptide Science. 7 (5): 407–20. doi:10.2174/138920306778559395

RDKit (71 words) [view diff] exact match in snippet view article find links to article

visualization List of molecular graphics systems Molecular docking List of protein-ligand docking software Molecular dynamics Quantum chemistry List of quantum chemistry

Comparison of software for molecular mechanics modeling (379 words) [view diff] exact match in snippet view article find links to article

small molecule simulations, QM-MM, pharmacophore modeling, QSAR, protein-ligand docking, protein homology modeling, sequence analysis, protein-protein docking

Dan T. Major (807 words) [view diff] exact match in snippet view article find links to article

dynamics, understanding natural product synthesis, development of protein-ligand docking programs, in silico design of Li-ion batteries, and fuel cell modeling

Simplified Molecular Input Line Entry System (3,645 words) [view diff] exact match in snippet view article find links to article

visualization List of molecular graphics systems Molecular docking List of protein-ligand docking software Molecular dynamics Quantum chemistry List of quantum chemistry

Christian Cambillau (1,158 words) [view diff] exact match in snippet view article find links to article

the TOM option in FRODO software, producing an automatic flexible protein-ligand docking software. He also participated to different works on protein crystallography

Outline of software (2,370 words) [view diff] exact match in snippet view article find links to article

libraries List of podcast clients List of printing protocols List of protein-ligand docking software List of protein structure prediction software List of manual

List of genetic algorithm applications (2,513 words) [view diff] no match in snippet view article find links to article

channels in biophysically detailed neuron models Protein folding and protein/ligand docking Selection of optimal mathematical model to describe biological systems

Spirotetronate cyclase AbyU (1,051 words) [view diff] case mismatch in snippet view article find links to article

N, Mhashal AR, Ansbacher T, et al. (September 2019). "EnzyDock: Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes"

Berkeley Open Infrastructure for Network Computing (3,203 words) [view diff] exact match in snippet view article find links to article

University of Delaware Molecular biology Use the CHARMM program to model protein-ligand docking. The goal was the development of pharmaceutical drugs. EDGeS@Home [ru]

List of volunteer computing projects (4,267 words) [view diff] exact match in snippet view article find links to article

Docking@Home 2006-09-11 2014-05-23 University of Delaware models protein-ligand docking using the CHARMM program. Yes DrugDiscovery@home Independent Drug