| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcamd/WangMCPO04 |
| P6179 | Dimensions Publication ID | 1052351475 |
| P356 | DOI | 10.1023/B:JCAM.0000030033.26053.40 |
| P2888 | exact match | https://scigraph.springernature.com/pub.10.1023/b:jcam.0000030033.26053.40 |
| P698 | PubMed publication ID | 15287697 |
| P5875 | ResearchGate publication ID | 8421893 |
| P2093 | author name string | Kun Wang | |
| Angel R Ortiz | |||
| Marta Murcia | |||
| Carlos Pérez | |||
| Pere Constans | |||
| P2860 | cites work | Drug design by the method of receptor fit | Q71330056 |
| Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase | Q72856007 | ||
| Simple knowledge-based descriptors to predict protein-ligand interactions. methodology and validation | Q73331725 | ||
| DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases | Q27231136 | ||
| The molecular surface package | Q29039306 | ||
| Solvent-accessible surfaces of proteins and nucleic acids | Q29614464 | ||
| Situs: A package for docking crystal structures into low-resolution maps from electron microscopy | Q29619796 | ||
| Functional group placement in protein binding sites: a comparison of GRID and MCSS. | Q30165525 | ||
| Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. | Q30333075 | ||
| A computational procedure for determining energetically favorable binding sites on biologically important macromolecules | Q30406755 | ||
| Evaluation of docking functions for protein-ligand docking | Q31028078 | ||
| Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors | Q31040376 | ||
| Molecular recognition and docking algorithms | Q31130825 | ||
| IsoStar: a library of information about nonbonded interactions | Q32103649 | ||
| A Bayesian molecular interaction library. | Q33195977 | ||
| Comparative study of several algorithms for flexible ligand docking | Q33201269 | ||
| The Protein Data Bank. A computer-based archival file for macromolecular structures | Q33464259 | ||
| Generalized born models of macromolecular solvation effects | Q34059768 | ||
| Statistical potentials and scoring functions applied to protein-ligand binding | Q34215889 | ||
| A geometric approach to macromolecule-ligand interactions | Q34280176 | ||
| Molecular quantum similarity and the fundamentals of QSAR. | Q34645901 | ||
| MOPAC: a semiempirical molecular orbital program | Q37328051 | ||
| Modeling shape and topology of low-resolution density maps of biological macromolecules | Q40210973 | ||
| SuperStar: improved knowledge-based interaction fields for protein binding sites | Q43556225 | ||
| Application of promolecular ASA densities to graphical representation of density functions of macromolecular systems | Q43671291 | ||
| Pharmacophore-based molecular docking to account for ligand flexibility | Q44379444 | ||
| Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases | Q44379446 | ||
| Functionality maps of binding sites: a multiple copy simultaneous search method | Q44440703 | ||
| Self-organizing neural networks bridge the biomolecular resolution gap. | Q46048366 | ||
| Orientational sampling and rigid-body minimization in molecular docking | Q46268512 | ||
| X-SITE: use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins | Q47629415 | ||
| A comparative study of isodensity surfaces using ab initio and ASA density functions. | Q51646050 | ||
| Docking of hydrophobic ligands with interaction-based matching algorithms. | Q51646570 | ||
| Knowledge-based scoring function to predict protein-ligand interactions. | Q52083236 | ||
| An automated method for dynamic ligand design. | Q52322027 | ||
| Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds | Q57975324 | ||
| Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds | Q57975325 | ||
| New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure | Q57975333 | ||
| P433 | issue | 2 | |
| P921 | main subject | ligand binding | Q61659151 |
| P304 | page(s) | 101-118 | |
| P577 | publication date | 2004-02-01 | |
| P1433 | published in | Journal of Computer - Aided Molecular Design | Q15766522 |
| P1476 | title | Gaussian mapping of chemical fragments in ligand binding sites. | |
| P478 | volume | 18 |
| Q37721461 | A novel p38 MAPK docking-groove-targeted compound is a potent inhibitor of inflammatory hyperalgesia. |
| Q47587723 | In memoriam. Angel Ramírez Ortiz (1966-2008). |
| Q57966435 | Mechanistic Insight into the Catalytic Activity of ββα-Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case |
| Q33378588 | VSDMIP: virtual screening data management on an integrated platform. |
Search more.