What is he best known for?
The fields of study he is best known for:
- Enzyme
- Organic chemistry
- DNA
Peter A. Kollman mainly investigates Computational chemistry, Molecular dynamics, Solvation, Chemical physics and Molecule. His study in Computational chemistry is interdisciplinary in nature, drawing from both Ab initio, Partial charge and Hydrogen bond. His Molecular dynamics research is multidisciplinary, incorporating elements of Crystallography, Implicit solvation, van der Waals force and Stereochemistry.
His work is dedicated to discovering how Solvation, Thermodynamics are connected with Intermolecular force and other disciplines. His research integrates issues of Ion, Microsecond and Energy in his study of Chemical physics. His research in Molecule intersects with topics in Bennett acceptance ratio and Model building.
His most cited work include:
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules (10059 citations)
- Development and testing of a general amber force field. (8481 citations)
- A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model (4281 citations)
What are the main themes of his work throughout his whole career to date?
Peter A. Kollman focuses on Computational chemistry, Molecular dynamics, Stereochemistry, Crystallography and Solvation. His Computational chemistry research is multidisciplinary, relying on both Ab initio, Aqueous solution and Hydrogen bond. His work deals with themes such as Chemical physics, Molecule, van der Waals force and Thermodynamics, which intersect with Molecular dynamics.
The various areas that he examines in his Stereochemistry study include DNA, Active site, Catalysis, Enzyme and Binding energy. His research on Crystallography focuses in particular on Helix. He does research in Solvation, focusing on Implicit solvation specifically.
He most often published in these fields:
- Computational chemistry (35.13%)
- Molecular dynamics (32.53%)
- Stereochemistry (23.95%)
What were the highlights of his more recent work (between 1999-2009)?
- Molecular dynamics (32.53%)
- Computational chemistry (35.13%)
- Stereochemistry (23.95%)
In recent papers he was focusing on the following fields of study:
Molecular dynamics, Computational chemistry, Stereochemistry, Crystallography and Molecule are his primary areas of study. The Molecular dynamics study combines topics in areas such as Chemical physics, Biophysics and Thermodynamics. Peter A. Kollman has researched Thermodynamics in several fields, including Protonation, Solvent and Intermolecular force.
His Computational chemistry research integrates issues from Solvation, Enzyme catalysis, Catalysis, Ab initio and Hydrogen bond. His research in Crystallography focuses on subjects like Protein structure, which are connected to Conformational isomerism and Binding site. His Force field study incorporates themes from Torsion and Root-mean-square deviation.
Between 1999 and 2009, his most popular works were:
- Development and testing of a general amber force field. (8481 citations)
- A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. (3306 citations)
- How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules (3006 citations)
In his most recent research, the most cited papers focused on:
- Enzyme
- Organic chemistry
- Quantum mechanics
His scientific interests lie mostly in Molecular dynamics, Computational chemistry, Molecule, Solvation and Thermodynamics. His Molecular dynamics research includes themes of Crystallography, Docking and Solvent. His Computational chemistry research incorporates themes from Ab initio, van der Waals force and Lysozyme.
His work on Partial charge and Hydrogen bond as part of general Molecule study is frequently linked to Site model, Atom and Network topology, bridging the gap between disciplines. His work carried out in the field of Solvation brings together such families of science as Internal energy, Villin and Stereochemistry. His work in Thermodynamics addresses issues such as Intermolecular force, which are connected to fields such as Root-mean-square deviation, Force constant, Bennett acceptance ratio, QM/MM and Metadynamics.
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