(Q37176721)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

title

CHARMMing: a new, flexible web portal for CHARMM (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

Henry Woodcock

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

author name string

Rishi P Singh

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

Jeffery B Klauda

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

Milan Hodoscek

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

Bernard R Brooks

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

publication date

13 August 2008

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Modeling

12 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

volume

48

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

issue

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

page(s)

1920-1929

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

All-atom empirical potential for molecular modeling and dynamics studies of proteins

12 January 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Automated builder and database of protein/membrane complexes for molecular dynamics simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Advances in methods and algorithms in a modern quantum chemistry program package.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Very fast empirical prediction and rationalization of protein pKa values

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Scalable molecular dynamics with NAMD

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

The Amber biomolecular simulation programs

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Structure of the cross-beta spine of amyloid-like fibrils

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Genetically crosslinked hemoglobin: a structural study

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

6 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Canonical dynamics: Equilibrium phase-space distributions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

VMD: visual molecular dynamics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

RASMOL: biomolecular graphics for all

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Protein surface conservation in binding sites.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Protein-protein binding-sites prediction by protein surface structure conservation.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2676146

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations

3 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18698840

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

CHARMM-GUI: a web-based graphical user interface for CHARMM

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18698840

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18698840

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Constant pressure molecular dynamics simulation: The Langevin piston method

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Development and testing of a general amber force field

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Distributed computing in practice: the Condor experience

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Globus Toolkit Version 4: Software for Service-Oriented Systems

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

General atomic and molecular electronic structure system

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

The crystallographic information file (CIF): a new standard archive file for crystallography

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Automatic atom type and bond type perception in molecular mechanical calculations

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Computational Science and Engineering Online (CSE-Online): a cyber-infrastructure for scientific computing

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

A unified formulation of the constant temperature molecular dynamics methods

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Large Amplitude Elastic Motions in Proteins from a Single-Parameter, Atomic Analysis

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/CI800133B

Identifiers

DOI

10.1021/CI800133B

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/MillerSKHBW08

12 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18698840%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

PubMed publication ID

18698840

1 reference