Charles L. Brooks III

Molecular Biology · Journal of Computational Chemistry · 2003–2006

A researcher in the Science corpus: 14 papers; trusts 11 researchers and is trusted by 38 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 51 citations into it; #1,094 of 17,773 by trust here, #1,741 by citations
• Computational Chemistry & Drug Discovery — 28 citations into it
• Materials Chemistry — 27 citations into it; #1,007 of 11,513 by trust here, #2,942 by citations
• Atomic and Molecular Physics, and Optics — 24 citations into it; #1,571 of 7,135 by trust here, #1,733 by citations
• Computational Biology & Bioinformatics — 15 citations into it
• Physical and Theoretical Chemistry — 7 citations into it; #167 of 671 by trust here, #121 by citations
• Spectroscopy — 7 citations into it; #333 of 1,674 by trust here, #445 by citations

Whom Charles L. Brooks III trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. T. Darden
2. Alexander D. MacKerell
3. Bernard R. Brooks
4. Roberto Car
5. Donald Bashford
6. Michele Parrinello
7. Guillaume Lamoureux
8. Roland L. Dunbrack
9. Konrad Hinsen
10. W. L. Jorgensen

Who trusts Charles L. Brooks III overall

1. Michael Feig
2. Alexander D. MacKerell
3. Lim Heo
4. Aurélien Grosdidier
5. Justin A. Lemkul
6. Katarzyna B. Koziara
7. Sandeep Patel
8. Sunhwan Jo
9. Vincent Zoete
10. Eric J. Sorin

Papers from Charles L. Brooks III's perspective

Ordered by how strongly the researchers Charles L. Brooks III trusts endorse each paper. Same corpus, a different order for every researcher.

1. Generalized born models of macromolecular solvation effects. (Annual review of physical chemistry (Print))
2. Consistent treatment of inter‐ and intramolecular polarization in molecular mechanics calculations (Journal of Computational Chemistry)
3. Numerical recipes in C
4. Force Field Validation Using Protein Side Chain Prediction
5. Proteins: Structures and Molecular Properties
6. MONSSTER: a method for folding globular proteins with a small number of distance restraints.
7. Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling tool.
8. Exploring the energy landscape of a β hairpin in explicit solvent
9. Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
10. Multidimensional replica-exchange method for free-energy calculations

Their papers

• Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations (2004) — 3,302 citations
• CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations (2004) — 413 citations
• New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations (2003) — 466 citations
• Assessing scoring functions for protein-ligand interactions. (2004) — 440 citations
• Comparative study of several algorithms for flexible ligand docking (2003) — 341 citations
• MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology. (2004) — 839 citations
• Recent advances in the development and application of implicit solvent models in biomolecule simulations. (2004) — 535 citations
• Improved treatment of the protein backbone in empirical force fields. (2004) — 929 citations
• Generalized born model with a simple smoothing function (2003) — 637 citations
• Detailed analysis of grid‐based molecular docking: A case study of CDOCKER—A CHARMm‐based MD docking algorithm (2003) — 1,456 citations
• Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures (2004) — 553 citations
• CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model (2004) — 407 citations
• A modified TIP3P water potential for simulation with Ewald summation. (2004) — 1,493 citations
• Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems (2006) — 121 citations