4.4 Article

Generative Topographic Mapping of Conformational Space

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Medicinal

Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set

Kyrylo Klimenko et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)

Article Chemistry, Medicinal

Data Warrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis

Thomas Sander et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)

Article Biochemistry & Molecular Biology

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds

Pavel Sidorov et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2015)

Article Chemistry, Medicinal

GTM-Based QSAR Models and Their Applicability Domains

H. A. Gaspar et al.

MOLECULAR INFORMATICS (2015)

Article Biochemistry & Molecular Biology

S4MPLE-Sampler for Multiple Protein-Ligand Entities: Methodology and Rigid-Site Docking Benchmarking

Laurent Hoffer et al.

MOLECULES (2015)

Article Chemistry, Medicinal

Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge

Helena A. Gaspar et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)

Article Chemistry, Medicinal

S4MPLE-Sampler For Multiple Protein-Ligand Entities: Simultaneous Docking of Several Entities

Laurent Hoffer et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)

Article Chemistry, Medicinal

In Silico Fragment-Based Drug Discovery: Setup and Validation of a Fragment-to-Lead Computational Protocol Using S4MPLE

Laurent Hoffer et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)

Article Biochemistry & Molecular Biology

Using self-organizing maps to accelerate similarity search

Fanny Bonachera et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2012)

Review Biochemistry & Molecular Biology

Functional versus folding landscapes: the same yet different

Pavel I. Zhuravlev et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2010)

Article Chemistry, Medicinal

Docking and biomolecular simulations on computer grids: Status and trends

Alexandru-Adrian Tantar et al.

CURRENT COMPUTER-AIDED DRUG DESIGN (2008)

Article Chemistry, Physical

Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation

Diogo A. R. S. Latino et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)

Article Multidisciplinary Sciences

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy

CD Snow et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)

Article Chemistry, Multidisciplinary

Stochastic proximity embedding

DK Agrafiotis

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)